SCHEMBL9985440

SCHEMBL9985440

CCC1CN(C(=O)Nc2ccccc2)c2ccc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)cc2O1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 15/20 0.72
▸ CYP2C9 P11712 2/20 0.62
▸ TP53 P04637 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SOAT2 O75908 2/20 0.47
▸ SOAT1 P35610 1/20 0.47
▸ DGAT2 Q96PD7 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL9985010 0.96 DGAT1 (0.68) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL12045656 0.94 DGAT1 (0.65) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL12045616 0.92 DGAT1 (0.64) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL9984767 0.91 DGAT1 (0.73) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL13189488 0.90 DGAT1 (0.61) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL9984246 0.89 DGAT1 (0.70) DGAT1CYP2C9SOAT2SOAT1DGAT2
SCHEMBL12045707 0.88 DGAT1 (0.68) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL12045658 0.88 DGAT1 (0.62) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL9983922 0.87 DGAT1 (0.57) DGAT1CYP2C9TP53THRBMAPT
SCHEMBL12045664 0.86 DGAT1 (0.65) DGAT1CYP2C9TP53THRBMAPT

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-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

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 2/4885CYP2C9 1469/4885TP53 4507/4885

“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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