SCHEMBL4139314

SCHEMBL4139314

CCc1c(C#N)nc(-c2ccccc2OC)n(CCc2cccc(F)c2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.54
TAAR1 Q96RJ0 1/20 0.44
TP53 P04637 1/20 0.41
NR1I2 O75469 1/20 0.41
GNRHR P30968 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL13851571 0.86 CASR (0.61) CASRTAAR1TP53NR1I2RXFP1
SCHEMBL4155770 0.84 CASR (0.56) CASRTAAR1TP53NR1I2RXFP1
SCHEMBL13851570 0.80 CASR (0.52) CASRTAAR1TP53NR1I2RXFP1
SCHEMBL3382473 0.78 CASR (0.76) CASRTAAR1TP53NR1I2RXFP1
SCHEMBL3381858 0.77 CASR (0.72) CASRTP53NR1I2MAPT
SCHEMBL4155919 0.76 CASR (0.58) CASRTP53NR1I2MAPT
SCHEMBL3379049 0.74 CASR (0.87) CASRNR1I2
SCHEMBL4151163 0.74 CASR (0.52) CASRNR1I2
SCHEMBL4152394 0.74 CASR (0.52) CASRNR1I2RXFP1
SCHEMBL5749292 0.73 CASR (0.70) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CASR 12/4885TAAR1 4308/4885TP53 3696/4885

“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.