SCHEMBL7497472

SCHEMBL7497472

C=Cc1c[nH]c(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.50
BAZ2A Q9UIF9 1/20 0.50
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
XDH P47989 1/20 0.36

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
SCHEMBL1003723 0.84 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL23952005 0.81 BAZ2B (0.49) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL9197132 0.79 BAZ2B (0.47) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL4566309 0.78 BAZ2B (0.46) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL19500071 0.78 TTR (0.47) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL4566308 0.78 BAZ2B (0.46) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL27680446 0.77 NPC1 (0.54) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL11898897 0.75 BAZ2B (0.63) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL9284395 0.75 BAZ2B (0.50) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL28140695 0.74 MEN1 (0.46) BAZ2BBAZ2AALDH1A1GAALMNA

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 19 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-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
EP-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 EP disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 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
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
EP-0904271-A4 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES UNIV PRINCETON (US) 2002-01-23 EP disclosed
US-6066639-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-05-23 US disclosed
EP-0904271-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1999-03-31 EP disclosed
WO-1997041115-A1 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-11-06 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 (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-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 BAZ2B 501/4885BAZ2A 918/4885ALDH1A1 2611/4885
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-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 BAZ2B 501/4885BAZ2A 918/4885ALDH1A1 2611/4885

“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.