Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5038409

Cl.O[C@@](Cc1ccccc1)(c1ccccc1)[C@H]1CNCCO1

nearest known ligand 0.97

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 13/20 0.97
HRH1 known ✓ P35367 1/20 0.38
SCN1A known ✓ P35498 1/20 0.38
SCN2A known ✓ Q99250 1/20 0.38
SCN3A known ✓ Q9NY46 1/20 0.38
HTR1A known ✓ P08908 1/20 0.36
SLC6A4 known ✓ P31645 1/20 0.34
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
Hydrochloric Acid SCHEMBL5433451 1.00 SLC6A2 (0.97) SLC6A2MAPTCYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL5038412 1.00 SLC6A2 (0.97) SLC6A2MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL14203047 0.99 SLC6A2 (1.00) SLC6A2MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL14202964 0.99 SLC6A2 (1.00) SLC6A2MAPTCYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL5046050 0.84 SLC6A2 (0.98) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5045961 0.84 SLC6A2 (0.77) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5428490 0.84 SLC6A2 (0.98) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5045876 0.84 SLC6A2 (0.74) SLC6A2CYP2D6HTR1ASLC6A4
Hydrochloric Acid SCHEMBL5046054 0.84 SLC6A2 (0.98) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5440843 0.84 SLC6A2 (0.73) SLC6A2HRH1HTR1ASLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354920-B2 Aryl and heteroaryl morpholine derivatives ELI LILLY AND COMPANY (US) 2008-04-08 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
US-20060003998-A1 Aryl and heteroaryl morpholine derivatives ELI LILLY AND COMPANY (IN) 2006-01-05 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 (3 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-20060003998-A1 Aryl and heteroaryl morpholine derivatives ADRA2C, HTR2C, ADRB1 SLC6A2 19/4885HRH1 51/4885SCN1A 1556/4885
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885HRH1 2413/4885SCN1A 1330/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885HRH1 610/4885SCN1A 577/4885

“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.