SCHEMBL9985684

SCHEMBL9985684

O=C(O)C1CCN(c2ncc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)cn2)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 16/20 0.66
▸ SOAT2 O75908 1/20 0.55
▸ KDR P35968 2/20 0.49
▸ USP30 Q70CQ3 1/20 0.46
▸ LCK P06239 1/20 0.44
▸ MET P08581 1/20 0.44
▸ TEK Q02763 1/20 0.44

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
SCHEMBL12045607 0.93 DGAT1 (0.60) DGAT1SOAT2KDRUSP30LCK
SCHEMBL9985031 0.88 DGAT1 (0.69) DGAT1SOAT2USP30
SCHEMBL9984145 0.86 DGAT1 (0.67) DGAT1SOAT2
SCHEMBL9984799 0.85 DGAT1 (0.52) DGAT1SOAT2
SCHEMBL9985010 0.84 DGAT1 (0.68) DGAT1SOAT2
SCHEMBL9985300 0.82 DGAT1 (0.76) DGAT1SOAT2KDRUSP30LCK
SCHEMBL9985305 0.82 DGAT1 (0.76) DGAT1SOAT2KDRUSP30LCK
SCHEMBL9984246 0.82 DGAT1 (0.70) DGAT1SOAT2
SCHEMBL12045615 0.81 DGAT1 (0.63) DGAT1SOAT2USP30
SCHEMBL12045608 0.81 DGAT1 (0.62) DGAT1SOAT2

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 2/4885SOAT2 6/4885KDR 3483/4885

“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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