Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1111003

CCCCOC(=O)N1CCNCC1.Cl

nearest known ligand 0.61

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
HRH2 known ✓ P25021 2/20 0.42
HRH1 known ✓ P35367 2/20 0.42
SIGMAR1 known ✓ Q99720 1/20 0.39
CA2 known ✓ P00918 1/20 0.37
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
GNAI3 P08754 6/20 0.43
GNAO1 P09471 6/20 0.43
GNAI1 P63096 6/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.39
GBA2 Q9HCG7 1/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL17017 0.98 POLB (0.63) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL5820669 0.98 POLB (0.63) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL18760256 0.98 POLB (0.63) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL4082478 0.97 POLB (0.61) POLBSMN1; SMN2LMNAGNAI3GNAO1
Potassium SCHEMBL30906131 0.97 POLB (0.61) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL5667296 0.93 LMNA (0.57) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL112600 0.92 SMN1; SMN2 (0.56) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL25424462 0.92 LMNA (0.55) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL27694189 0.92 LMNA (0.55) POLBSMN1; SMN2LMNAGNAI3GNAO1
SCHEMBL9123475 0.92 LMNA (0.55) POLBSMN1; SMN2LMNAGNAI3GNAO1

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
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed
CN-101835779-B Purine derivatives useful as PI3 kinase inhibitors HOFFMANN LA ROCHE 2014-01-29 CN disclosed
US-8466156-B2 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-06-18 US disclosed
EP-2283011-B1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-11-23 EP disclosed
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
EP-2283011-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
US-20110028484-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-03 US disclosed
EP-2279191-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-02 EP disclosed
CN-101835779-A Purine derivative as the PI3 kinase inhibitor HOFFMANN LA ROCHE 2010-09-15 CN disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
WO-2009125365-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO 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 (2 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-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 HRH2 97/4885HRH1 191/4885SIGMAR1 715/4885
US-20110028484-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES P2RY12, P2RY13, P2RY4 HRH2 299/4885HRH1 935/4885SIGMAR1 1466/4885

“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.