SCHEMBL4544349

SCHEMBL4544349

CCc1c[nH]c(C(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.62
BAZ2A Q9UIF9 1/20 0.62
ALDH1A1 P00352 4/20 0.57
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9908199 0.87 BAZ2B (0.57) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL16364739 0.87 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL3113139 0.85 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL5546234 0.84 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL9192084 0.84 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL7377017 0.84 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL9285452 0.83 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL14791060 0.83 GABRA1 (0.50) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL9151583 0.82 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1GAAKMT2A
SCHEMBL9147935 0.82 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1GAAKMT2A

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
WO-2024255697-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-12-19 WO disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
EP-2683719-B1 SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS LILLY CO ELI (US) 2015-03-18 EP disclosed
EP-2683719-B1 SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS LILLY CO ELI (US) 2015-03-18 EP disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
CN-103848835-A Dipeptidyl peptidase-IV inhibitor, application thereof, intermediate body thereof and preparation method of intermediate body thereof SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2014-06-11 CN disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 US disclosed
EP-2683719-A1 SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS Eli Lilly and Company (US) 2014-01-15 EP disclosed
US-8314092-B2 Substituted [(5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid compounds as dual activity H1 inverse agonists/5-HT2A antagonists ELI LILLY AND COMPANY (US) 2012-11-20 US disclosed
US-8314092-B2 Substituted [(5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid compounds as dual activity H1 inverse agonists/5-HT2A antagonists ELI LILLY AND COMPANY (US) 2012-11-20 US disclosed
US-8314092-B2 Substituted [(5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid compounds as dual activity H1 inverse agonists/5-HT2A antagonists ELI LILLY AND COMPANY (US) 2012-11-20 US disclosed
WO-2012109011-A1 SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-16 WO disclosed
WO-2012109011-A1 SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-16 WO disclosed
US-20120202797-A1 SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-09 US disclosed
US-20120202797-A1 SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-09 US disclosed
US-20120202797-A1 SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-08-09 US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 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 (3 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-20120202797-A1 SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS HTR2A, HTR1A, HTR2C BAZ2B 1984/4885BAZ2A 1161/4885ALDH1A1 818/4885
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 BAZ2B 1850/4885BAZ2A 2513/4885ALDH1A1 1307/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA BAZ2B 2503/4885BAZ2A 3011/4885ALDH1A1 725/4885

“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.