SCHEMBL6776955

SCHEMBL6776955

CN(C)c1ccc2c(c1)CCC2=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HSD17B1 P14061 3/20 0.47
ALDH1A1 P00352 1/20 0.46
GRM5 P41594 1/20 0.45
CYP26A1 O43174 2/20 0.44
MIF P14174 1/20 0.44
MAOB P27338 5/20 0.42
MAOA P21397 1/20 0.42
PRKCI P41743 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PBRM1 Q86U86 1/20 0.40
PGR P06401 1/20 0.40
TERT O14746 1/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL11872289 0.89 MAOB (0.56) CASP1CASP7HSD17B10HSD17B1ALDH1A1
SCHEMBL14741324 0.89 MAOB (0.51) CASP1CASP7HSD17B10HSD17B1ALDH1A1
Hydrochloric Acid SCHEMBL11463421 0.87 MAOB (0.54) CASP1CASP7HSD17B10HSD17B1ALDH1A1
SCHEMBL3994800 0.86 HSD17B1 (0.63) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL5444174 0.85 PBRM1 (0.53) CASP1CASP7HSD17B10ALDH1A1CYP26A1
SCHEMBL17080971 0.81 TERT (0.42) CASP1CASP7HSD17B10HSD17B1ALDH1A1
SCHEMBL4811389 0.80 ALDH1A1 (0.50) CASP1CASP7HSD17B10HSD17B1ALDH1A1
SCHEMBL26332447 0.76 BID (0.43) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL30357081 0.76 BID (0.43) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL3966947 0.76 RXRA (0.47) CASP1CASP7HSD17B10HSD17B1GRM5

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728150-B2 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-06-01 US disclosed
US-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-08-09 US disclosed
US-6716852-B2 FOR THERAPY OF ARTERIAL HYPERTENSION AND CARDIOVASCULAR DISEASES LES LABORATORIES SERVIER (FR) 2004-04-06 US disclosed
US-6642251-B1 Antitumor, 2-indolinone derivatives SUGEN, INC. 2003-11-04 US disclosed
US-20030199510-A1 Geometrically restricted 2-indolinone derivatives as modulators of protein kinase activity SUGEN, INC. 2003-10-23 US disclosed
EP-1255757-B1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INST NAT SANTE RECH MED (FR) 2003-06-18 EP disclosed
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors LES LABORATOIRES SERVIER (FR) 2003-03-20 US disclosed
US-6525072-B1 Prevention and treatment of cellular disorders such as cancer SUGEN, INC. 2003-02-25 US disclosed
EP-1255757-A1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-11-13 EP disclosed
WO-2001060822-A1 AMINO ACID DERIVATIVES AND USE THEREOF AS NEP, ACE AND ECE INHIBITORS INSTITUT NATIONAL DE LA RECHERCHE MEDICALE INSERM (FR) 2001-08-23 WO disclosed
EP-1117397-A1 GEOMETRICALLY RESTRICTED 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2001-07-25 EP disclosed
WO-2000012084-A1 GEOMETRICALLY RESTRICTED 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 2000-03-09 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-20070185161-A1 Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR1H2 CASP1 3877/4885CASP7 4610/4885HSD17B10 115/4885
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors MME, ACE, ECE1 CASP1 2532/4885CASP7 3289/4885HSD17B10 1543/4885
US-20030199510-A1 Geometrically restricted 2-indolinone derivatives as modulators of protein kinase activity MAP4K2, CKS2, MAP4K1 CASP1 3662/4885CASP7 2274/4885HSD17B10 1613/4885

“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.