SCHEMBL225083

SCHEMBL225083

Cc1onnc1-c1[c]cccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL3146090 0.75 PTGS1 (0.41) PTGS1PTGS2
SCHEMBL3140272 0.68 CYP19A1 (0.36)
SCHEMBL2650191 0.68 LMNA (0.33)
SCHEMBL2072831 0.68 DYRK1A (0.34)
SCHEMBL2658516 0.68 BRD4 (0.55) PTGS1PTGS2
SCHEMBL8340584 0.67 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL115447 0.66 CYP3A4 (0.33)
SCHEMBL225237 0.66 BRD4 (0.39)
SCHEMBL1521695 0.66 CYP2A6 (0.44)
SCHEMBL715300 0.66 ALDH1A1 (0.40)

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US claimed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP claimed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO claimed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues UCB Biopharma SRL (BE) 2021-04-01 US disclosed
EP-3774741-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-17 EP disclosed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 CN disclosed
WO-2019192992-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SPRL (BE) 2019-10-10 WO disclosed
US-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US disclosed
EP-2651929-A1 NOVEL BENZOFURANE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 US disclosed
US-20030176449-A1 3-Phenyl-imidazo-pyrimidine derivatives as ligands for gaba receptors APPLIED MEDICAL RESOURCES CORPORATION 2003-09-18 US disclosed
EP-1294723-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090108-A1 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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 (5 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-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTGS1 742/4885PTGS2 559/4885
US-20120157449-A1 BENZOFURANE COMPOUNDS HTR3A, HTR3C, HTR2A PTGS1 617/4885PTGS2 481/4885
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues G6PD, DPYD, DHODH PTGS1 156/4885PTGS2 215/4885
US-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 PTGS1 2782/4885PTGS2 2084/4885
US-20030176449-A1 3-Phenyl-imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABBR2, GABRA2 PTGS1 2012/4885PTGS2 1813/4885

“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.