Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3109852

COC(=O)C1CC(NC(=O)c2ccccc2)CN1C(=O)CNC(=O)OC(C)(C)C.Cl

nearest known ligand 0.62

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
SIGMAR1 known ✓ Q99720 1/20 0.41
MMP2 P08253 13/20 0.62
ANPEP P15144 5/20 0.50
TLR2 O60603 2/20 0.39
TLR1 Q15399 2/20 0.39
KLK5 Q9Y337 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
USP30 Q70CQ3 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL3109847 1.00 MMP2 (0.62) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL10084498 0.99 MMP2 (0.64) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL2527916 0.99 MMP2 (0.64) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL13623377 0.99 MMP2 (0.64) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL2399785 0.99 MMP2 (0.64) MMP2ANPEPSIGMAR1TLR2TLR1
Hydrochloric Acid SCHEMBL3108556 0.92 MMP2 (0.51) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL14117871 0.91 MMP2 (0.52) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL3102862 0.91 MMP2 (0.52) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL2521825 0.91 MMP2 (0.52) MMP2ANPEPSIGMAR1TLR2TLR1
SCHEMBL2400095 0.91 MMP2 (0.52) MMP2ANPEPSIGMAR1TLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469609-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2016-10-18 US disclosed
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS ZEALAND PHARMA A/S (DK) 2015-11-12 US disclosed
US-8927590-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2015-01-06 US disclosed
US-20130053344-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-02-28 US disclosed
US-20100249207-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS WYETH LLC (US) 2010-09-30 US disclosed
US-20080188545-A1 (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid hydrochloride monohydrate; cardiovascular disease; osteoporosis; inflammation of airway epithelium; disorders of alveolar tissue; bladder incontinence; impaired hearing; endothelial lesions ZEALAND PHARMA A/S (DK) 2008-08-07 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 (4 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-20130053344-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC SIGMAR1 4159/4885MMP2 3894/4885ANPEP 686/4885
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC SIGMAR1 4159/4885MMP2 3894/4885ANPEP 686/4885
US-20080188545-A1 (2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxylic acid hydrochloride monohydrate; cardiovascular disease; osteoporosis; inflammation of airway epithelium; disorders of alveolar tissue; bladder incontinence; impaired hearing; endothelial lesions GLS, COL2A1, MYOC SIGMAR1 4393/4885MMP2 970/4885ANPEP 347/4885
US-20100249207-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC SIGMAR1 4159/4885MMP2 3894/4885ANPEP 686/4885

“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.