SCHEMBL6179700

SCHEMBL6179700

NC(=O)N1CCC(CC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.45
ITGA2B P08514 15/20 0.45
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
SLC6A1 P30531 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A11 P48066 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39

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
SCHEMBL14433549 0.85 TPSAB1 (0.39) ITGB3ITGA2B
SCHEMBL7876014 0.84 TPSAB1 (0.52) ITGB3ITGA2B
SCHEMBL3833697 0.83 SLC6A1 (0.42) ITGB3ITGA2BANPEPENPEPSLC6A1
Hydrochloric Acid SCHEMBL11076520 0.82 TPSAB1 (0.51) ITGB3ITGA2B
SCHEMBL13611685 0.82 AKR1C3 (0.43) ITGB3ITGA2B
SCHEMBL30684623 0.80 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL2422675 0.79 EPHX2 (0.42) ITGB3ITGA2BSLC6A1GABRA5GABRB2
SCHEMBL20003158 0.79 ITGB3 (0.40) ITGB3ITGA2BANPEPENPEPSLC6A1
SCHEMBL17275234 0.79 ALDH1A1 (0.43) ITGB3ITGA2BANPEPENPEPSLC6A1
SCHEMBL14266466 0.79 GAA (0.39) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930589-A Tricyclic compound, pharmaceutical composition and application 广州国家实验室 2025-05-06 CN disclosed
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
EP-2498609-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2018-04-18 EP disclosed
WO-2018064356-A1 COMPOUNDS AND METHODS FOR TREATING LUPUS CELGENE INTERNATIONAL II SARL (CH) 2018-04-05 WO disclosed
WO-2015066515-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND COMBINATION THERAPY THEREWITH RECEPTOS, INC. (US) 2015-05-07 WO disclosed
US-7485645-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-7485645-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2009-02-03 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
EP-1572299-B1 17 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2008-09-24 EP disclosed
US-20080004248-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION 2008-01-03 US disclosed
US-7271175-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2007-09-18 US disclosed
US-7271175-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2007-09-18 US disclosed
EP-1313725-B1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2007-04-11 EP disclosed
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6740661-B2 TRICYCLIC IMINE CONTAINING COMPOUNDS HAVING IMIDAZOLE SUBSTITUENT; ANTITUMOR AGENTS SCHERING CORPORATION 2004-05-25 US disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
US-6372747-B1 ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2002-04-16 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 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 (1 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-20080004248-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES HSD17B3, HSD17B1, HSD17B11 ITGB3 2116/4885ITGA2B 3770/4885ANPEP 2300/4885

“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.