SCHEMBL4486440

SCHEMBL4486440

CCc1cc(CC)c2c(C#N)c(C=O)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.34
PPARG P37231 7/20 0.34
APLNR P35414 4/20 0.33
CMA1 P23946 1/20 0.33
BCAT2 O15382 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOB P27338 2/20 0.30

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
SCHEMBL4470416 0.88 CMA1 (0.35) AGTR1PPARGAPLNRCMA1
SCHEMBL4470424 0.88 CMA1 (0.35) AGTR1PPARGAPLNRCMA1
SCHEMBL4486655 0.83 CCR2 (0.33) AGTR1PPARGCMA1
SCHEMBL4486658 0.83 CCR2 (0.33) AGTR1PPARGCMA1
SCHEMBL4470734 0.82 RAB9A (0.34) KDM4EMAOB
SCHEMBL4470739 0.82 RAB9A (0.34) KDM4EMAOB
SCHEMBL4480042 0.82 AGTR1 (0.37) AGTR1PPARGAPLNRCMA1KDM4E
SCHEMBL4476919 0.82 KCNA5 (0.33) AGTR1PPARGCMA1KDM4E
SCHEMBL4475959 0.82 POLB (0.36) AGTR1PPARGCMA1KDM4E
SCHEMBL4476927 0.82 KCNA5 (0.33) AGTR1PPARGCMA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 AGTR1 227/4885PPARG 1174/4885APLNR 547/4885

“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.