SCHEMBL162707

SCHEMBL162707

O=COC1CCC(c2ncc(-c3ccc(NC(=O)Nc4c(F)cccc4F)cc3)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.44
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CNR1 P21554 1/20 0.38
KDR P35968 2/20 0.36
AURKA O14965 1/20 0.36
FLT3 P36888 1/20 0.36
PDGFRA P16234 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB3 P21860 1/20 0.35
TEK Q02763 1/20 0.35
ERBB4 Q15303 1/20 0.35
HTR3A P46098 1/20 0.35
EPHB4 P54760 1/20 0.35
NAMPT P43490 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL163071 0.89 DGAT1 (0.44) DGAT1KMT2ACNR1KDREGFR
SCHEMBL162085 0.88 DGAT1 (0.53) DGAT1CNR1KDRAURKAPDGFRA
SCHEMBL174659 0.87 CNR1 (0.49) DGAT1KMT2ACNR1KDRAURKA
SCHEMBL15022085 0.87 DGAT1 (0.55) DGAT1CA12CA1CA2CA9
SCHEMBL165053 0.87 DGAT1 (0.42) DGAT1CNR1KDREGFRTEK
SCHEMBL158327 0.86 DGAT1 (0.47) DGAT1KMT2ACA12CA1CA2
SCHEMBL162774 0.86 DGAT1 (0.43) DGAT1CA12CA1CA2CA9
SCHEMBL159427 0.86 DGAT1 (0.44) DGAT1CA12CA1CA2CA9
SCHEMBL164678 0.85 DGAT1 (0.56) DGAT1CA12CA1CA2CA9
SCHEMBL162706 0.85 DGAT1 (0.59) DGAT1KMT2ACA12CA1CA2

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 1/4885KMT2A 2187/4885CA12 4307/4885

“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.