Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4931975

CCN(CC)CC(=O)OCCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O.Cl

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
DDB1 known ✓ Q16531 6/20 0.40
CRBN known ✓ Q96SW2 6/20 0.40
CHRM2 known ✓ P08172 1/20 0.38
OPRM1 known ✓ P35372 1/20 0.38
GAA known ✓ P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.41
CCKBR P32239 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
IKZF3 Q9UKT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4938342 0.99 ALDH1A1 (0.42) ALDH1A1CCKBRMAP1LC3BDDB1CRBN
SCHEMBL4937675 0.92 NPSR1 (0.43) ALDH1A1CCKBRMAP1LC3BDDB1CRBN
Hydrochloric Acid SCHEMBL2919200 0.90 L3MBTL1 (0.39) ALDH1A1MAP1LC3BDDB1CRBNTDP1
Hydrochloric Acid SCHEMBL4931170 0.90 MAP1LC3B (0.41) ALDH1A1MAP1LC3BDDB1CRBNTDP1
SCHEMBL4937821 0.89 DDB1 (0.45) CCKBRMAP1LC3BDDB1CRBNIKZF3
SCHEMBL4937364 0.89 MAP1LC3B (0.41) ALDH1A1MAP1LC3BDDB1CRBNTDP1
SCHEMBL2910295 0.89 L3MBTL1 (0.40) ALDH1A1MAP1LC3BDDB1CRBNTDP1
SCHEMBL4938594 0.88 DDB1 (0.46) ALDH1A1CCKBRMAP1LC3BDDB1CRBN
SCHEMBL4936190 0.88 CRBN (0.44) ALDH1A1CCKBRMAP1LC3BDDB1CRBN
SCHEMBL4940367 0.87 CRBN (0.42) CCKBRMAP1LC3BDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867649-B1 PIPERIDYL-2, 6-DIONE DERIVATIVES USED TO INHIBIT CELLS FROM RELEASING TUMOR NECROSIS FACTOR TIAN JIN HEMAY BIO TECH CO LTD (CN) 2012-12-12 EP claimed
US-10406147-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2019-09-10 US disclosed
US-20190247383-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2019-08-15 US disclosed
US-10166222-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2019-01-01 US disclosed
US-20180050025-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2018-02-22 US disclosed
US-9669015-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2017-06-06 US disclosed
US-20150272940-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2015-10-01 US disclosed
US-9085563-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2015-07-21 US disclosed
US-20140179737-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2014-06-26 US disclosed
US-8637545-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2014-01-28 US disclosed
EP-1867649-B1 PIPERIDYL-2, 6-DIONE DERIVATIVES USED TO INHIBIT CELLS FROM RELEASING TUMOR NECROSIS FACTOR TIAN JIN HEMAY BIO TECH CO LTD (CN) 2012-12-12 EP disclosed
US-20080051432-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2008-02-28 US disclosed
EP-1867649-A1 PIPERIDYL-2, 6-DIONE DERIVATIVES USED TO INHIBIT CELLS FROM RELEASING TUMOR NECROSIS FACTOR Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2007-12-19 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 (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-20180050025-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNFRSF9, TNFRSF1A, NGFR DDB1 2855/4885CRBN 949/4885CHRM2 143/4885
US-10406147-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TNF, TNFRSF1A, TNFRSF9 DDB1 2336/4885CRBN 896/4885CHRM2 154/4885
US-10166222-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TNFRSF1A, TNFRSF9, NGFR DDB1 2770/4885CRBN 1007/4885CHRM2 135/4885
US-20150272940-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DDB1 2336/4885CRBN 896/4885CHRM2 154/4885
US-20190247383-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DDB1 2373/4885CRBN 862/4885CHRM2 183/4885
US-20080051432-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DDB1 2336/4885CRBN 896/4885CHRM2 154/4885
US-20140179737-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES AND THEIR USE AS TUMOR NECROSIS FACTOR INHIBITORS TNF, TNFRSF1A, TNFRSF9 DDB1 2336/4885CRBN 896/4885CHRM2 154/4885

“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.