Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20501205

CCOC(=O)CCCCCCCCCN.Cl

nearest known ligand 0.80

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
GAA known ✓ P10253 2/20 0.48
SLC6A2 known ✓ P23975 1/20 0.46
SLC6A3 known ✓ Q01959 1/20 0.46
PTGS2 known ✓ P35354 1/20 0.44
PDE4D known ✓ Q08499 1/20 0.44
CYP1A2 P05177 1/20 0.80
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
PAOX Q6QHF9 1/20 0.50
DGKA P23743 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CPB2 Q96IY4 1/20 0.47
KMT2A Q03164 2/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
PLG P00747 1/20 0.46

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 SCHEMBL1284223 1.00 CYP1A2 (0.80) CYP1A2ALDH1A1ALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL3959012 1.00 CYP1A2 (0.80) CYP1A2ALDH1A1ALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL8979496 1.00 CYP1A2 (0.80) CYP1A2ALDH1A1ALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL7653012 1.00 CYP1A2 (0.80) CYP1A2ALDH1A1ALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL10994303 1.00 CYP1A2 (0.80) CYP1A2ALDH1A1ALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL4004213 1.00 CYP1A2 (0.80) CYP1A2ALDH1A1ALOX15TDP1TSHR
Bromide SCHEMBL10984095 0.98 CYP1A2 (0.77) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL2967294 0.98 CYP1A2 (0.83) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL3284074 0.98 CYP1A2 (0.83) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL4915709 0.98 CYP1A2 (0.83) CYP1A2ALDH1A1ALOX15TDP1TSHR

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-20240425456-A1 DEGRADER ASKA PHARMACEUTICAL CO., LTD. (JP) 2024-12-26 US disclosed
EP-4410806-A1 DEGRADATION INDUCER ASKA Pharmaceutical Co., Ltd. (JP) 2024-08-07 EP disclosed
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
US-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-17 US disclosed
WO-2022074589-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREFOR KURES, INC. (US) 2022-04-14 WO disclosed
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-12 US disclosed
WO-2018170275-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-09-20 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 (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-11787772-B2 Carboxylic diarythiazepineamines as mixed mu- and delta-opioid receptor agonists OPRD1, OPRM1, OPRK1 GAA 2298/4885SLC6A2 188/4885SLC6A3 88/4885
US-20240425456-A1 DEGRADER JAK3, JAK1, JAK2 GAA 1849/4885SLC6A2 3970/4885SLC6A3 1517/4885
US-20200079745-A1 CARBOXYLIC DIARYTHIAZEPINEAMINES AS MIXED MU-AND DELTA-OPIOID RECEPTOR AGONISTS OPRD1, OPRM1, OPRK1 GAA 2298/4885SLC6A2 188/4885SLC6A3 88/4885
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 GAA 2250/4885SLC6A2 700/4885SLC6A3 217/4885

“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.