SCHEMBL406561

SCHEMBL406561

COc1ccccc1NC(=O)N1CCc2cc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)ccc21

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.75
SOAT2 O75908 4/20 0.55
EGFR P00533 1/20 0.54
INSR P06213 1/20 0.54
PTGIR P43119 1/20 0.54
CASP9 P55211 1/20 0.54
CASP8 Q14790 1/20 0.54
SOAT1 P35610 2/20 0.52
CYP2C9 P11712 1/20 0.52
DGAT2 Q96PD7 1/20 0.52

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
SCHEMBL406560 1.00 DGAT1 (0.75) DGAT1SOAT2EGFRINSRPTGIR
SCHEMBL405482 0.89 DGAT1 (0.79) DGAT1SOAT2EGFRINSRPTGIR
SCHEMBL405481 0.89 DGAT1 (0.79) DGAT1SOAT2EGFRINSRPTGIR
SCHEMBL13190257 0.88 DGAT1 (0.56) DGAT1
SCHEMBL384027 0.87 DGAT1 (0.79) DGAT1SOAT2EGFRINSRPTGIR
SCHEMBL383887 0.87 DGAT1 (0.79) DGAT1SOAT2EGFRINSRPTGIR
SCHEMBL383888 0.87 DGAT1 (0.79) DGAT1SOAT2EGFRINSRPTGIR
SCHEMBL384026 0.87 DGAT1 (0.79) DGAT1SOAT2EGFRINSRPTGIR
SCHEMBL409274 0.87 DGAT1 (0.81) DGAT1SOAT2SOAT1CYP2C9DGAT2
SCHEMBL409273 0.87 DGAT1 (0.81) DGAT1SOAT2SOAT1CYP2C9DGAT2

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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885SOAT2 9/4885EGFR 4045/4885

“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.