Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2896840

CC1CNCC(C)N1c1ncccn1.Cl

nearest known ligand 0.42

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 11)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 17/20 0.41
HTR2C known ✓ P28335 17/20 0.41
HTR2B known ✓ P41595 17/20 0.41
KCNH2 known ✓ Q12809 2/20 0.37
CHRNB4 known ✓ P30926 1/20 0.35
CHRNA3 known ✓ P32297 1/20 0.35
CHRNA7 known ✓ P36544 1/20 0.35
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 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
SCHEMBL6855299 0.98 HTR2A (0.42) KDM4EALDH1A1HTR2AHTR2CHTR2B
SCHEMBL6855304 0.98 HTR2A (0.42) KDM4EALDH1A1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29731417 0.78 HTR2A (0.34) HTR2AHTR2CHTR2BKCNH2
SCHEMBL29327258 0.76 PLD1 (0.47) ALDH1A1HTR2AHTR2CHTR2BCHRNB2
Hydrochloric Acid SCHEMBL29731593 0.75 HTR2A (0.45) HTR2AHTR2CHTR2BKCNH2
SCHEMBL16933653 0.74 HCRTR1 (0.44) HTR2AHTR2CHTR2B
SCHEMBL16933651 0.74 HCRTR1 (0.44) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL16235859 0.74 KDM4E (0.50) KDM4EALDH1A1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2892940 0.74 KDM4E (0.50) KDM4EALDH1A1HTR2AHTR2CHTR2B
SCHEMBL30777531 0.73 ROCK2 (0.42) KDM4EALDH1A1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233969-B2 Therapeutic agent for cerebral infarction MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-01-12 US disclosed
US-20150104483-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-16 US disclosed
US-20150105400-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-16 US disclosed
US-20140350250-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-27 US disclosed
US-20140350249-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-27 US disclosed
US-8835631-B2 Therapeutic agent for cerebral infarction MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-09-16 US disclosed
EP-2154135-B1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORP (JP) 2013-02-27 EP disclosed
EP-2532658-A1 Therapeutic agent for cerebral infarction Mitsubishi Tanabe Pharma Corporation (JP) 2012-12-12 EP disclosed
US-20100179157-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2154135-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP 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-20150105400-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION CCL2, IL1B, IL1A HTR2A 3302/4885HTR2C 4344/4885HTR2B 3455/4885
US-20100179157-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION CCL2, IL1A, IL6 HTR2A 3260/4885HTR2C 4359/4885HTR2B 3818/4885
US-20140350249-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION CCL2, IL1A, IL6 HTR2A 3260/4885HTR2C 4359/4885HTR2B 3818/4885
US-20140350250-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION CCL2, IL1A, IL6 HTR2A 3260/4885HTR2C 4359/4885HTR2B 3818/4885
US-20150104483-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION CCL2, IL1A, IL6 HTR2A 3260/4885HTR2C 4359/4885HTR2B 3818/4885

“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.