Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9989072

Cl.NC(COCc1ccccc1)C(=O)O

nearest known ligand 0.71

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
PTGS1 known ✓ P23219 1/20 0.56
TACR1 known ✓ P25103 2/20 0.53
CA2 known ✓ P00918 1/20 0.50
SLC1A1 P43005 4/20 0.71
IDO1 P14902 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC1A3 P43003 3/20 0.51
SLC1A2 P43004 3/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 3/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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 SCHEMBL857896 1.00 SLC1A1 (0.71) SLC1A1IDO1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL29350764 1.00 SLC1A1 (0.71) SLC1A1IDO1ALPIPKMPTGS1
SCHEMBL2037281 0.98 SLC1A1 (0.73) SLC1A1IDO1ALPIPKMPTGS1
SCHEMBL561330 0.98 SLC1A1 (0.73) SLC1A1IDO1ALPIPKMPTGS1
SCHEMBL185608 0.98 SLC1A1 (0.73) SLC1A1IDO1ALPIPKMPTGS1
SCHEMBL31606701 0.90 SLC1A1 (0.63) SLC1A1IDO1ALPIPKMPTGS1
SCHEMBL20825448 0.90 SLC1A1 (0.63) SLC1A1IDO1ALPIPKMPTGS1
Trifluoroacetic Acid SCHEMBL3580103 0.89 SLC1A1 (0.62) SLC1A1IDO1ALPIPKMPTGS1
SCHEMBL24354993 0.88 SLC1A1 (0.61) SLC1A1IDO1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL16495177 0.88 SLC1A1 (0.60) SLC1A1IDO1ALPIPKMPTGS1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490974-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY HONG KONG CO LTD (HK) 2023-12-06 EP disclosed
CN-109906218-B Spiro-lactam NMDA receptor modulators and uses thereof 阿普廷伊克斯股份有限公司 2023-01-17 CN disclosed
US-20220151992-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-05-19 US disclosed
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-01-06 US disclosed
US-11077094-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-08-03 US disclosed
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 US disclosed
US-20200206189-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2020-07-02 US disclosed
US-10441572-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-10-15 US disclosed
US-10441571-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-10-15 US disclosed
WO-2019152688-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed
US-9579304-B2 Spiro-lactam NMDA receptor modulators and uses thereof Aptinyx, Inc. (US) 2017-02-28 US disclosed
US-20160368926-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF Aptinyx Incorporated (US) 2016-12-22 US disclosed
US-9512134-B2 Spiro-lactam NMDA receptor modulators and uses thereof Aptinyx, Inc. (US) 2016-12-06 US disclosed
US-9504670-B2 Spiro-lactam NMDA receptor modulators and uses thereof Aptinyx, Inc. (US) 2016-11-29 US disclosed
US-20160289240-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2016-10-06 US disclosed
US-20160122359-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2016-05-05 US disclosed
EP-2951183-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF Aptinyx Inc. (US) 2015-12-09 EP disclosed
WO-2014120783-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 WO disclosed
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN 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 (10 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-20160289240-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A PTGS1 2254/4885TACR1 41/4885CA2 4167/4885
US-20160368926-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A PTGS1 2254/4885TACR1 41/4885CA2 4167/4885
US-20220151992-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A PTGS1 2254/4885TACR1 41/4885CA2 4167/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A PTGS1 2149/4885TACR1 44/4885CA2 4350/4885
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A PTGS1 2149/4885TACR1 44/4885CA2 4350/4885
US-10441571-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A PTGS1 2254/4885TACR1 41/4885CA2 4167/4885
US-20200206189-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A PTGS1 2254/4885TACR1 41/4885CA2 4167/4885
US-10441572-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A PTGS1 2254/4885TACR1 41/4885CA2 4167/4885
US-20160122359-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B PTGS1 3401/4885TACR1 137/4885CA2 4711/4885
US-11077094-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A PTGS1 2254/4885TACR1 41/4885CA2 4167/4885

“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.