SCHEMBL4492014

SCHEMBL4492014

CCC(CC)c1cc(C)n2nc(-c3ccc(O)cc3Cl)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CRHR1 P34998 8/20 0.36
ESR1 P03372 8/20 0.34
ESR2 Q92731 5/20 0.34
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4492063 0.62 CRHR1 (0.52) CRHR1
SCHEMBL2477255 0.59 ESR1 (0.74) ESR1ESR2
SCHEMBL11523292 0.57 ESR1 (0.55) ESR1ESR2
SCHEMBL20032315 0.57 CYP3A4 (0.42)
SCHEMBL5168001 0.56 ESR1 (0.43) PTGS1ESR1ESR2
SCHEMBL984070 0.56 ESR1 (0.72) PTGS1ESR1ESR2
SCHEMBL15688276 0.55 ESR1 (0.47) PTGS1PTGS2ESR1ESR2
SCHEMBL27744547 0.55 ESR1 (0.56) PTGS1PTGS2ESR1ESR2
SCHEMBL2383072 0.54 HIF1A (0.53) ESR1ESR2
SCHEMBL22354939 0.54 ESR1 (0.55) PTGS1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
EP-1961745-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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-20090281120-A1 BICYCLIC HETEROCYCLIC COMPOUND CRHR1, NR3C1, CNR1 PTGS1 2000/4885PTGS2 2499/4885CRHR1 1/4885

“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.