Hydrochloric Acid

Hydrochloric Acid

SCHEMBL349085

Cl.Cl.O=C(O)C1(c2ccc(N3CCC3)nc2)CC1

nearest known ligand 0.40

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
KCNQ3 known ✓ O43525 1/20 0.36
KCNQ2 known ✓ O43526 1/20 0.36
AOC3 Q16853 2/20 0.40
MAPT P10636 2/20 0.40
UBE2T Q9NPD8 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
MLYCD O95822 2/20 0.37
SMO Q99835 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL349641 0.87 ALDH1A1 (0.39) AOC3MAPTUBE2TALDH1A1LMNA
SCHEMBL13271405 0.86 ALDH1A1 (0.53) AOC3MAPTALDH1A1LMNACNR2
SCHEMBL349134 0.77 OPRM1 (0.51) HPGD
SCHEMBL12002619 0.73 ALDH1A1 (0.52) AOC3MAPTALDH1A1LMNACNR2
SCHEMBL744117 0.72 OGA (0.45) AOC3MAPTUBE2TALDH1A1LMNA
SCHEMBL3229607 0.72 ALDH1A1 (0.57) UBE2TAKR1C1ALDH1A1LMNAKDM4E
SCHEMBL28434527 0.72 EGLN1 (0.38) AKR1C1AKR1C3AKR1C2MLYCD
SCHEMBL13271370 0.71 ALDH1A1 (0.50) AOC3MAPTALDH1A1LMNAAKR1C3
SCHEMBL19836997 0.71 UBE2T (0.58) MAPTUBE2TALDH1A1LMNAKDM4E
SCHEMBL31352228 0.71 UBE2T (0.58) MAPTUBE2TALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957229-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2018-05-01 US disclosed
US-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2017-11-23 US disclosed
US-9670154-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2017-06-06 US disclosed
EP-2963021-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2015-11-19 US disclosed
US-9126927-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP disclosed
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2012-01-19 US disclosed
US-8058288-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-11-15 US disclosed
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2010-10-07 US disclosed
US-7776874-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2010-08-17 US disclosed
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes INCYTE CORPORATION (US) 2008-10-16 US disclosed
US-7304081-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2007-12-04 US disclosed
US-20070179142-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-02 US disclosed
CN-101001842-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-07-18 CN disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
US-20050282858-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-22 US disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 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 (7 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-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KCNQ3 2182/4885KCNQ2 2282/4885AOC3 731/4885
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KCNQ3 2182/4885KCNQ2 2282/4885AOC3 731/4885
US-20050282858-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KCNQ3 2182/4885KCNQ2 2282/4885AOC3 731/4885
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KCNQ3 2182/4885KCNQ2 2282/4885AOC3 731/4885
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes HSD11B1, NR3C2, SRD5A1 KCNQ3 1811/4885KCNQ2 1625/4885AOC3 885/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KCNQ3 2182/4885KCNQ2 2282/4885AOC3 731/4885
US-20070179142-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KCNQ3 2182/4885KCNQ2 2282/4885AOC3 731/4885

“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.