SCHEMBL3893787

SCHEMBL3893787

Cc1ccc(-c2c(C#N)c(CC3CC3)nc3ccc(O)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 7/20 0.41
ESRRA P11474 7/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
DPP4 P27487 5/20 0.35
ADORA1 P30542 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL3893950 0.90 ESRRB (0.41) ESRRBESRRAESR1ESR2GRIN1
SCHEMBL3903116 0.86 ESRRB (0.40) ESRRBESRRAESR1ESR2GRIN1
SCHEMBL3897120 0.83 ESRRB (0.41) ESRRBESRRAESR1ESR2DPP4
SCHEMBL3897670 0.82 ESRRB (0.41) ESRRBESRRAESR1ESR2DPP4
SCHEMBL3899817 0.82 DPP4 (0.49) DPP4ALDH1A1HPGDKDM4E
SCHEMBL4708341 0.80 DPP4 (0.38) GRIN1GRIN2BDPP4
SCHEMBL4735167 0.79 DPP4 (0.38) ESRRBESRRAESR1ESR2GRIN1
SCHEMBL4708340 0.79 GRIN1 (0.36) ESRRBESRRAESR1ESR2GRIN1
SCHEMBL3903159 0.78 DPP4 (0.41) DPP4
SCHEMBL3906128 0.74 DPP4 (0.43) ESRRBESRRAESR1ESR2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2008021048-A2 ADP-RIBOSYLTRANSFERASE BASED METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-02-21 WO disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR ESRRB 206/4885ESRRA 171/4885ESR1 679/4885

“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.