SCHEMBL410403

SCHEMBL410403

O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)N3CCCCC3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.68
SOAT2 O75908 3/20 0.49
CYP2C9 P11712 1/20 0.45
SOAT1 P35610 1/20 0.45
DGAT2 Q96PD7 1/20 0.45

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
SCHEMBL410404 1.00 DGAT1 (0.68) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10197151 0.99 DGAT1 (0.69) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10260835 0.99 DGAT1 (0.69) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL406025 0.90 DGAT1 (0.66) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL406024 0.90 DGAT1 (0.66) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL462605 0.87 DGAT1 (0.58) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL462604 0.87 DGAT1 (0.58) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10261211 0.87 DGAT1 (0.58) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL13190605 0.87 DGAT1 (0.50) DGAT1
SCHEMBL407801 0.84 DGAT1 (0.73) DGAT1SOAT2CYP2C9SOAT1DGAT2

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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
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 9/4885CYP2C9 1475/4885

“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.