SCHEMBL6582964

SCHEMBL6582964

COC(=O)Cc1cccc(N2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 3/20 0.59
AGXT P21549 1/20 0.57
MRGPRX4 Q96LA9 1/20 0.53
KMO O15229 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PLOD2 O00469 2/20 0.49
PLOD3 O60568 2/20 0.49
PLOD1 Q02809 2/20 0.49
LIPE Q05469 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL31263991 1.00 MAPT (0.59) MAPTALDH1A1AGXTMRGPRX4KMO
SCHEMBL15709874 0.87 MAPT (0.53) MAPTALDH1A1AGXTSMN1; SMN2LMNA
SCHEMBL15709650 0.87 PRMT6 (0.56) MAPTALDH1A1AGXTSMN1; SMN2LMNA
SCHEMBL15725249 0.86 PRMT6 (0.58) MAPTALDH1A1AGXTSMN1; SMN2LMNA
SCHEMBL29589898 0.85 AGXT (0.58) MAPTALDH1A1AGXTSMN1; SMN2LMNA
SCHEMBL15710135 0.85 AGXT (0.58) MAPTALDH1A1AGXTSMN1; SMN2LMNA
SCHEMBL3831936 0.85 AGXT (0.61) MAPTAGXTMRGPRX4KMOSMN1; SMN2
SCHEMBL2650247 0.84 MAPT (0.78) MAPTALDH1A1MRGPRX4SMN1; SMN2LMNA
SCHEMBL4577325 0.84 ADRB1 (0.55) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL6583384 0.83 ITGB3 (0.64) MAPTAGXTKMOSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 EP disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed
US-10087172-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
CN-1185229-C 3-indolyl-4-phenyl-1H-pyrrole-2, 5-dione derivatives as glycogen synthase kinase-3 beta inhibitors HOFFMANN LA ROCHE (CH) 2005-01-19 CN disclosed
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
CN-1444581-A 3-indolyl-4-phenyl-1H-pyrrole-2, 5-dione derivatives as inhibitors of glycogen synthase kinase-3beta HOFFMANN LA ROCHE (CH) 2003-09-24 CN disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL MAPT 3239/4885ALDH1A1 196/4885AGXT 33/4885
US-10087172-B2 Compounds and their methods of use GLS, GLS2, GLUL MAPT 3239/4885ALDH1A1 196/4885AGXT 33/4885
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL MAPT 851/4885ALDH1A1 2363/4885AGXT 1764/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL MAPT 914/4885ALDH1A1 2390/4885AGXT 1879/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL MAPT 3597/4885ALDH1A1 444/4885AGXT 39/4885

“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.