Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3241146

Cc1nc(-c2ccc(OCCCCCOc3ccc(C(=N)N)cc3)cc2)c(C(C)C)s1.Cl

nearest known ligand 0.54

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 0.52
▸ CHRM4 known ✓ P08173 1/20 0.52
▸ CHRM5 known ✓ P08912 1/20 0.52
▸ ADRA2A known ✓ P08913 1/20 0.52
▸ MAOA known ✓ P21397 1/20 0.52
▸ DRD1 known ✓ P21728 1/20 0.52
▸ ACHE known ✓ P22303 1/20 0.52
▸ SLC6A2 known ✓ P23975 1/20 0.52
▸ HTR2A known ✓ P28223 1/20 0.52
▸ HTR2C known ✓ P28335 1/20 0.52
▸ SLC6A4 known ✓ P31645 1/20 0.52
▸ ADRA1A known ✓ P35348 1/20 0.52
▸ OPRM1 known ✓ P35372 1/20 0.52
▸ DRD3 known ✓ P35462 1/20 0.52
▸ SLC6A3 known ✓ Q01959 1/20 0.52
▸ GRIN1 known ✓ Q05586 1/20 0.52
▸ KCNH2 known ✓ Q12809 1/20 0.52
▸ GRIN2A known ✓ Q12879 1/20 0.52
▸ HRH3 known ✓ Q9Y5N1 1/20 0.52
▸ PRSS1 P07477 7/20 0.54

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
SCHEMBL727965 0.99 PRMT1 (0.53) PRSS1PRMT1PLAUPLGF2
SCHEMBL3192337 0.98 PRSS1 (0.52) PRSS1PRMT1PLAUPLGF2
SCHEMBL27832557 0.89 PRSS1 (0.49) PRSS1PRMT1PLAUPLGF2
SCHEMBL11936601 0.88 MEN1 (0.38) PRSS1PRMT1PLAUPLGF2
SCHEMBL12213745 0.86 GAA (0.53) PRSS1PRMT1PLAUPLGF2
SCHEMBL729742 0.86 MEN1 (0.37) PRSS1PRMT1PLAUPLGF2
SCHEMBL3666899 0.86 GAA (0.53) PRSS1PRMT1PLAUPLGF2
SCHEMBL13686121 0.86 GAA (0.53) PRSS1PRMT1PLAUPLGF2
SCHEMBL727316 0.86 MEN1 (0.37) PRSS1PRMT1PLAUPLGF2
SCHEMBL729017 0.85 PRMT1 (0.58) PRSS1PRMT1PLAUPLGF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227496-B2 Use of 4-[(4-thiazolyl)phenoxy]alkoxy-benzamidine derivatives for treatment of osteoporosis DONG WHA PHARMACEUTICAL CO., LTD (KR) 2012-07-24 — — US claimed
US-20100160394-A1 USE OF 4-[(4- THIAZOLYL)PHENOXY]ALKOXY-BENZAMIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF OSTEOPOROSIS DONGWHA PHARMACEUTICAL CO., LTD. 2010-06-24 — — US claimed
EP-1411935-B1 USE OF 4- (4-THIAZOLYL)PHENOXL ALKOXY-BENZAMIDINE DERIVATIVES FOR TREATMENT OF OSTEOPOROSIS DONG WHA PHARM CO LTD (KR) 2010-05-19 — — EP claimed
US-20100120875-A1 USE OF 4-[(4-THIAZOLYL)PHENOXY]ALKOXY-BENZAMIDINE DERIVATIVES FOR TREATMENT OF OSTEOPOROSIS DONGWHA PHARMACEUTICAL CO., LTD. 2010-05-13 — — US claimed
US-20040186150-A1 Use of 4-[(4-thiazolyl)phenoxy]alkoxy-benzamidine derivatives for treatment of osteoporosis DONG WHA PHARMACEUTICAL CO., LTD. (KP) 2004-09-23 — — US claimed
US-8242152-B2 Use of 4-[(4-thiazolyl)phenoxy]alkoxy-benzamidine derivatives for the prophylaxis and treatment of osteoporosis DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2012-08-14 — — US disclosed
US-20100160394-A1 USE OF 4-[(4- THIAZOLYL)PHENOXY]ALKOXY-BENZAMIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF OSTEOPOROSIS DONGWHA PHARMACEUTICAL CO., LTD. 2010-06-24 — — 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-20040186150-A1 Use of 4-[(4-thiazolyl)phenoxy]alkoxy-benzamidine derivatives for treatment of osteoporosis LTB4R, LTB4R2, CYSLTR1 CHRM2 429/4885CHRM4 251/4885CHRM5 260/4885
US-20100160394-A1 USE OF 4-[(4- THIAZOLYL)PHENOXY]ALKOXY-BENZAMIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF OSTEOPOROSIS SOST, PTH1R, PTMS CHRM2 744/4885CHRM4 529/4885CHRM5 263/4885
US-20100120875-A1 USE OF 4-[(4-THIAZOLYL)PHENOXY]ALKOXY-BENZAMIDINE DERIVATIVES FOR TREATMENT OF OSTEOPOROSIS SOST, THPO, BMP4 CHRM2 348/4885CHRM4 176/4885CHRM5 350/4885

“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.

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