SCHEMBL9985203

SCHEMBL9985203

CC1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(-c3cnc(N4CCC(C(=O)O)C4)nc3)cc2O1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 14/20 0.65
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ PTGIR P43119 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ SOAT2 O75908 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SOAT1 P35610 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL9985119 0.96 DGAT1 (0.63) DGAT1GAAMAPTEGFRINSR
SCHEMBL12045617 0.94 DGAT1 (0.61) DGAT1GAAMAPTEGFRINSR
SCHEMBL12045651 0.92 DGAT1 (0.62) DGAT1GAAMAPTEGFRINSR
SCHEMBL9984513 0.91 DGAT1 (0.67) DGAT1MAPTCYP2C9NOTUMLMNA
SCHEMBL9984784 0.90 DGAT1 (0.65) DGAT1GAAMAPTEGFRINSR
SCHEMBL9984799 0.88 DGAT1 (0.52) DGAT1MAPTSOAT2SOAT1NOTUM
SCHEMBL9986009 0.87 DGAT1 (0.66) DGAT1MAPTCYP2C9LMNA
SCHEMBL12045653 0.86 DGAT1 (0.63) DGAT1GAAMAPTEGFRINSR
SCHEMBL9984145 0.85 DGAT1 (0.67) DGAT1EGFRINSRPTGIRCASP9
SCHEMBL12045621 0.85 DGAT1 (0.63) DGAT1MAPTCYP2C9LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 — — US disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 — — US disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 — — US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 — — US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 — — US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 — — US disclosed
WO-2010107765-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-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885GAA 238/4885MAPT 2605/4885

“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.

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