SCHEMBL4472516

SCHEMBL4472516

CC(C)c1cc(C(C)C)c2c(C#N)c(C=CC(=O)O)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
ESR1 P03372 1/20 0.30
APLNR P35414 1/20 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
SCHEMBL4472509 1.00 CMA1 (0.33) CMA1AADATESR1APLNR
SCHEMBL4466951 0.89 AADAT (0.33) AADAT
SCHEMBL4466944 0.89 AADAT (0.33) AADAT
SCHEMBL4469943 0.88 AADAT (0.32) CMA1AADATAPLNR
SCHEMBL4492005 0.88 RAB9A (0.35) AADATESR1
SCHEMBL4492010 0.88 RAB9A (0.35) AADATESR1
SCHEMBL4493282 0.87 POLB (0.35)
SCHEMBL4493286 0.87 POLB (0.35)
SCHEMBL4487972 0.86 GHSR (0.31)
SCHEMBL4487963 0.86 GHSR (0.31)

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 CMA1 2104/4885AADAT 3527/4885ESR1 1074/4885

“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.