Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2489671

Cl.O=C(O)c1ccc(CN2CCCNCCNCCCNCC2)cc1

nearest known ligand 0.75

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
CHRM2 known ✓ P08172 1/20 0.72
CHRM1 known ✓ P11229 1/20 0.72
ADRA2C known ✓ P18825 1/20 0.72
HRH3 known ✓ Q9Y5N1 1/20 0.72
SIGMAR1 known ✓ Q99720 2/20 0.51
HDAC1 known ✓ Q13547 2/20 0.48
HDAC8 known ✓ Q9BY41 1/20 0.48
HDAC6 known ✓ Q9UBN7 1/20 0.48
CXCR4 P61073 13/20 0.75
MEN1 O00255 1/20 0.72
CCR2 P41597 1/20 0.72
CXCL12 P48061 1/20 0.72
BLM P54132 1/20 0.72
KMT2A Q03164 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
KDM5C P41229 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL898695 0.99 CXCR4 (0.74) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL5962418 0.94 CXCR4 (0.66) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL10006951 0.92 CXCR4 (0.63) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL13995932 0.91 SIGMAR1 (0.61) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL10901935 0.91 SIGMAR1 (0.61) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL28273325 0.91 SIGMAR1 (0.61) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL1160126 0.90 SIGMAR1 (0.62) CXCR4MEN1CHRM2CHRM1ADRA2C
Edetic Acid SCHEMBL2365124 0.88 CXCR4 (0.59) CXCR4MEN1CHRM2CHRM1ADRA2C
Plerixafor SCHEMBL414153 0.87 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C
Hydrochloric Acid SCHEMBL7612104 0.87 CXCR4 (1.00) CXCR4MEN1CHRM2CHRM1ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919938-B2 Modified cyclopentapeptides and uses thereof Technische Universität München (DE) 2021-02-16 US disclosed
US-20180037608-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2018-02-08 US disclosed
US-9266924-B2 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2016-02-23 US disclosed
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2013-05-23 US disclosed
EP-2013344-B1 ANTISENSE AGENTS COMBINING STRONGLY BOUND BASE - MODIFIED OLIGONUCLEOTIDE AND ARTIFICIAL NUCLEASE BALTIC TECHNOLOGY DEV LTD (EE) 2012-08-29 EP disclosed
US-20120171279-A1 STRONGLY BOUND BASE-MODIFIED OLIGONUCLEOTIDES Baltic Technology Development Ltd. (EE) 2012-07-05 US disclosed
EP-2380596-A1 Cyclopentapeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP disclosed
EP-2380597-A1 Cyclopeptide derivatives and uses thereof Technische Universität München (DE) 2011-10-26 EP disclosed
US-7786292-B2 compounds having a chelating moiety and an oligonucleotide sequence which includes one or more modified nucleobases such as hydroxynucleobases; inhibiting translation of a nucleic acid in an organism BALTIC TECHNOLOGY DEVELOPMENT, LTD. (EE) 2010-08-31 US disclosed
EP-2013344-A2 ANTISENSE AGENTS COMBINING STRONGLY BOUND BASE - MODIFIED OLIGONUCLEOTIDE AND ARTIFICIAL NUCLEASE Baltic Technology Development, Ltd. (EE) 2009-01-14 EP disclosed
WO-2007125173-A2 ANTISENSE AGENTS COMBINING STRONGLY BOUND BASE - MODIFIED OLIGONUCLEOTIDE AND ARTIFICIAL NUCLEASE BALTIC TECHNOLOGY DEVELOPMENT, LTD. (EE) 2007-11-08 WO disclosed
US-20070259830-A1 Antisense Agents Combining Strongly Bound Base-Modified Oligonucleotide and Artificial Nuclease BALTIC TECHNOLOGY DEVELOPMENT (EE) 2007-11-08 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 (5 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-20180037608-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF ANXA4, CPA4, PTMS CHRM2 2066/4885CHRM1 1524/4885ADRA2C 1299/4885
US-20070259830-A1 Antisense Agents Combining Strongly Bound Base-Modified Oligonucleotide and Artificial Nuclease NCL, RNGTT, POLRMT CHRM2 4847/4885CHRM1 4856/4885ADRA2C 4810/4885
US-20130129622-A1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF ANXA4, XPNPEP1, ANXA1 CHRM2 3421/4885CHRM1 1739/4885ADRA2C 2120/4885
US-20120171279-A1 STRONGLY BOUND BASE-MODIFIED OLIGONUCLEOTIDES POLRMT, RNGTT, NSUN2 CHRM2 4850/4885CHRM1 4842/4885ADRA2C 4793/4885
US-10919938-B2 Modified cyclopentapeptides and uses thereof ANXA4, CPA4, PTMS CHRM2 2066/4885CHRM1 1524/4885ADRA2C 1299/4885

“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.