Hydrochloric Acid

Hydrochloric Acid

SCHEMBL339982

Cl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 5/20 0.97
SLC6A4 known ✓ P31645 5/20 0.97
SLC6A3 known ✓ Q01959 5/20 0.97
SIGMAR1 known ✓ Q99720 4/20 0.97
OPRM1 known ✓ P35372 1/20 0.82
OPRK1 known ✓ P41145 1/20 0.82
KCNH2 known ✓ Q12809 1/20 0.80
SMN1; SMN2 Q16637 4/20 1.00
MEN1 O00255 3/20 1.00
ALDH1A1 P00352 3/20 1.00
LMNA P02545 3/20 1.00
KMT2A Q03164 3/20 1.00
GMNN O75496 2/20 1.00
BLM P54132 2/20 1.00
PMP22 Q01453 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
MAPK1 P28482 3/20 0.97
TP53 P04637 2/20 0.97
CYP1A2 P05177 2/20 0.97
CYP2D6 P10635 2/20 0.97

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL726349 0.98 SLC6A2 (1.00) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL4199225 0.94 SIGMAR1 (1.00) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
Vanoxerine SCHEMBL725103 0.91 SLC6A4 (1.00) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
Vanoxerine SCHEMBL15541249 0.91 SLC6A4 (1.00) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL11374533 0.91 SLC6A4 (0.90) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL10000765 0.91 SLC6A4 (0.97) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
Vanoxerine SCHEMBL246574 0.89 SLC6A4 (1.00) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL6517933 0.89 SIGMAR1 (0.82) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL31420200 0.89 SLC6A4 (0.82) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL6254945 0.89 SLC6A4 (0.90) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446353-B2 Compositions and methods for the treatment of fungal infections THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2022-09-20 US disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-8097625-B2 Combination of sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression SUNOVION PHARMACEUTICALS INC. (US) 2012-01-17 US disclosed
EP-2343073-A2 Combination of a sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression Sepracor Inc. (US) 2011-07-13 EP disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20020161002-A1 Norepinephrine reuptake inhibitors; to increase memory function such as long-term memory and recall ability SENTION, INC. 2002-10-31 US disclosed
US-20020115725-A1 Methods and compositions for regulating memory consolidation PRIESTLEY, KATHERINE (GB) 2002-08-22 US disclosed
US-20020103162-A1 Use of threo-methylphenidate compounds to enhance memory SENTION, INC. 2002-08-01 US disclosed
WO-2002039998-A2 METHODS AND COMPOSITIONS FOR REGULATING MEMORY CONSOLIDATION SENTION, INC. (US) 2002-05-23 WO disclosed
WO-2002017919-A2 USE OF THREO-METHYLPHENIDATE COMPOUNDS TO ENHANCE MEMORY SENTION, INC. (US) 2002-03-07 WO disclosed
WO-2002017920-A2 USE OF METHYLPHENIDATE COMPOUNDS TO ENHANCE MEMORY SENTION, INC (US) 2002-03-07 WO disclosed
US-6218595-B1 GENETICALLY ENGINEERED CELLS; FOR USE AS TEST MODELS IN THE TREATMENT OF PARKINSON'S DISEASE OR DYSKINESIS DUKE UNIVERSITY 2001-04-17 US disclosed
WO-1997012513-A1 DOPAMINE TRANSPORTER KNOCKOUT MICE DUKE UNIVERSITY (US) 1997-04-10 WO disclosed
US-4265894-A TREATING PARKINSON'S DISEASE AND ACROMEGALY GIST BROCADES, N.V. (NL) 1981-05-05 US disclosed
US-4202896-A DOPAMINERGIC ACTIVITY GIST-BROCADES N.V. (NL) 1980-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SLC6A2 4707/4885SLC6A4 4446/4885SLC6A3 4302/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO SLC6A2 4707/4885SLC6A4 4446/4885SLC6A3 4302/4885
US-20020103162-A1 Use of threo-methylphenidate compounds to enhance memory SLC6A3, SLC6A2, PNMT SLC6A2 2/4885SLC6A4 4/4885SLC6A3 1/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SLC6A2 4707/4885SLC6A4 4446/4885SLC6A3 4302/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO SLC6A2 4457/4885SLC6A4 3902/4885SLC6A3 4132/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C SLC6A2 33/4885SLC6A4 65/4885SLC6A3 69/4885
US-20020115725-A1 Methods and compositions for regulating memory consolidation BDNF, CHAT, GAP43 SLC6A2 1503/4885SLC6A4 2396/4885SLC6A3 1970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.