SCHEMBL4592907

SCHEMBL4592907

COC(=O)c1cccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.65
CNR1 P21554 1/20 0.55
SLC6A3 Q01959 2/20 0.50

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
SCHEMBL25002897 0.85 MAPT (0.58) CNR2CNR1SLC6A3
SCHEMBL24994712 0.85 CNR2 (0.52) CNR2CNR1SLC6A3
SCHEMBL4436292 0.84 NOTUM (0.57) CNR2CNR1SLC6A3
SCHEMBL859899 0.84 HSD17B14 (0.57) CNR2
SCHEMBL20057196 0.83 CNR2 (0.63) CNR2CNR1
SCHEMBL1260197 0.83 ALDH1A1 (0.52) CNR2CNR1
SCHEMBL19899368 0.82 CNR2 (0.46) CNR2
SCHEMBL31507571 0.82 CNR2 (0.46) CNR2
SCHEMBL6439408 0.82 MAPT (0.55) CNR2
SCHEMBL21044221 0.82 SLC6A3 (0.52) CNR2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 US 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD CNR2 1244/4885CNR1 1189/4885SLC6A3 444/4885

“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.