Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2774879

CCS(=O)(=O)C1CCNCC1.Cl

nearest known ligand 0.50

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
GABRA1 known ✓ P14867 2/20 0.50
GABRG2 known ✓ P18507 2/20 0.50
GABRB3 known ✓ P28472 2/20 0.50
GABRA5 known ✓ P31644 2/20 0.50
GABRA3 known ✓ P34903 2/20 0.50
GABRA2 known ✓ P47869 2/20 0.50
GABRA6 known ✓ Q16445 2/20 0.50
KCNH2 known ✓ Q12809 1/20 0.31
GABRP known ✓ O00591 1/20 0.31
GABRD known ✓ O14764 1/20 0.31
GABRB1 known ✓ P18505 1/20 0.31
GABRB2 known ✓ P47870 1/20 0.31
GABRA4 known ✓ P48169 1/20 0.31
GABRE known ✓ P78334 1/20 0.31
GABRG1 known ✓ Q8N1C3 1/20 0.31
GABRG3 known ✓ Q99928 1/20 0.31
GABRQ known ✓ Q9UN88 1/20 0.31
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A4 known ✓ P31645 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30

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
SCHEMBL13162564 0.98 GABRA1 (0.52) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL440466 0.85 TSHR (0.45) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL408176 0.82 TSHR (0.46) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2051129 0.79
SCHEMBL29061152 0.77 LMNA (0.46) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL5247560 0.77 LMNA (0.42) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL20137931 0.76 LMNA (0.45) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL336468 0.75 GABRA1 (0.54) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL21640729 0.75 APLNR (0.32) APLNR
SCHEMBL14836687 0.74 GABRA1 (0.48) GABRA1TSHRGABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344338-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-07-16 CN disclosed
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2024-07-04 US disclosed
CN-111989322-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 CN disclosed
CN-113214220-B Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for the treatment of lymphomas 细胞基因公司 2024-04-02 CN disclosed
US-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith CELGENE CORPORATION (US) 2024-04-02 US disclosed
EP-4272737-A2 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA Celgene Corporation (US) 2023-11-08 EP disclosed
EP-3784663-B1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA CELGENE CORP (US) 2023-07-12 EP disclosed
US-20220306611-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2022-09-29 US disclosed
US-11358952-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith CELGENE CORPORATION (US) 2022-06-14 US disclosed
CN-113214220-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for treating lymphomas 细胞基因公司 2021-08-06 CN disclosed
EP-3784663-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND THEIR USE FOR TREATING LYMPHOMA Celgene Corporation (US) 2021-03-03 EP disclosed
CN-111989322-A Substituted 4-aminoisoindoline-1, 3-dione compounds and their use for treating lymphomas 细胞基因公司 2020-11-24 CN disclosed
US-20190322647-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2019-10-24 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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 (6 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-11945804-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith AANAT, HTR2C, AADAT GABRA1 1179/4885GABRG2 2356/4885GABRB3 609/4885
US-20240217955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT GABRA1 1179/4885GABRG2 2356/4885GABRB3 609/4885
US-20190322647-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT GABRA1 1179/4885GABRG2 2356/4885GABRB3 609/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 GABRA1 657/4885GABRG2 1184/4885GABRB3 679/4885
US-11358952-B2 Substituted 4-aminoisoindoline-1,3-dione compounds, compositions thereof, and methods of treatment therewith AANAT, HTR2C, AADAT GABRA1 1179/4885GABRG2 2356/4885GABRB3 609/4885
US-20220306611-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH AANAT, HTR2C, AADAT GABRA1 1179/4885GABRG2 2356/4885GABRB3 609/4885

“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.