SCHEMBL161347

SCHEMBL161347

COC(=O)CC(C)(C)Cc1ncc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.54
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TRPV1 Q8NER1 7/20 0.48
▸ TP53 P04637 1/20 0.47
▸ HDAC3 O15379 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL163569 0.91 PTPN1 (0.48) DGAT1SMN1; SMN2TRPV1
SCHEMBL158331 0.90 DGAT1 (0.58) DGAT1TRPV1HDAC3HDAC11HDAC8
SCHEMBL163068 0.86 TRPV1 (0.45) DGAT1LMNAMAPTSMN1; SMN2TRPV1
SCHEMBL161964 0.86 DGAT1 (0.56) DGAT1LMNAMAPTSMN1; SMN2TRPV1
SCHEMBL160403 0.86 DGAT1 (0.56) DGAT1LMNAMAPTSMN1; SMN2TRPV1
SCHEMBL162497 0.84 DGAT1 (0.54) DGAT1LMNAMAPTSMN1; SMN2TRPV1
SCHEMBL165688 0.84 DGAT1 (0.60) DGAT1TRPV1HDAC3HDAC11HDAC8
SCHEMBL162846 0.82 DGAT1 (0.48) DGAT1SMN1; SMN2TRPV1
SCHEMBL162470 0.81 ERCC5 (0.39) LMNAMAPTSMN1; SMN2HDAC6
SCHEMBL163250 0.80 DGAT1 (0.54) DGAT1LMNAMAPTSMN1; SMN2TRPV1

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
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885LMNA 2076/4885MAPT 137/4885

“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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