SCHEMBL1915443

SCHEMBL1915443

CCOc1ccc2c(c1)CCC2=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.60
HRH3 Q9Y5N1 3/20 0.58
MAOA P21397 9/20 0.54
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
BRD4 O60885 1/20 0.50
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6825249 0.90 MAOB (0.66) MAOBHRH3MAOA
SCHEMBL14604954 0.87 MAOB (0.65) MAOBHRH3MAOABRD4
SCHEMBL8272631 0.87 MAOB (0.69) MAOBHRH3MAOAMAPTL3MBTL1
SCHEMBL6391911 0.86 BRD4 (0.64) MAOBHRH3MAOAMAPTL3MBTL1
SCHEMBL27974960 0.84 MAOB (0.66) MAOBHRH3MAOAMAPTL3MBTL1
SCHEMBL9740545 0.83 MAOB (0.57) MAOBHRH3MAOACASP1CASP7
SCHEMBL1030417 0.83 MAOB (0.64) MAOBHRH3MAOAMAPTL3MBTL1
SCHEMBL29090878 0.83 MAOB (0.60) MAOBHRH3MAOACASP1CASP7
SCHEMBL13256055 0.82 BRD4 (0.60) MAOBHRH3MAOAMAPTL3MBTL1
SCHEMBL4815741 0.82 MAOB (0.63) MAOBHRH3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES Novartis AG (CH) 2012-10-31 EP disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed
US-20090105278-A1 Selective inhibitors of human corticosteroid syntheses UNIVERSITAT DES SAARLANDES (DE) 2009-04-23 US disclosed
US-20090105278-A1 Selective inhibitors of human corticosteroid syntheses UNIVERSITAT DES SAARLANDES (DE) 2009-04-23 US disclosed
US-20090105278-A1 Selective inhibitors of human corticosteroid syntheses UNIVERSITAT DES SAARLANDES (DE) 2009-04-23 US disclosed
WO-2006008316-A2 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHESES Universität des Saarlandes (DE) 2006-01-26 WO disclosed
US-6716852-B2 FOR THERAPY OF ARTERIAL HYPERTENSION AND CARDIOVASCULAR DISEASES LES LABORATORIES SERVIER (FR) 2004-04-06 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
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

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-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES CYP4F2, CYP11B2, CYP4F3 MAOB 221/4885HRH3 580/4885MAOA 272/4885
US-20090105278-A1 Selective inhibitors of human corticosteroid syntheses HSD11B1, HSD11B2, CYP11B1 MAOB 456/4885HRH3 3461/4885MAOA 1449/4885
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors MME, ACE, ECE1 MAOB 84/4885HRH3 269/4885MAOA 81/4885

“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.