SCHEMBL161878

SCHEMBL161878

CC(C)(CCc1ncc(-c2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)s1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.52
CNR1 P21554 2/20 0.40
CSGALNACT1 Q8TDX6 1/20 0.39
KDR P35968 3/20 0.38
KIT P10721 2/20 0.38
SYK P43405 1/20 0.38
RIPK1 Q13546 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL159430 0.91 DGAT1 (0.43) DGAT1CNR1KDRKITSYK
SCHEMBL160684 0.90 DGAT1 (0.49) DGAT1CNR1CSGALNACT1KDRKIT
SCHEMBL161303 0.88 DGAT1 (0.56) DGAT1CSGALNACT1TP53MAPT
SCHEMBL158731 0.87 DGAT1 (0.54) DGAT1CNR1KDRKITSYK
SCHEMBL174042 0.86 CNR1 (0.43) DGAT1CNR1CCNE1CDK2
SCHEMBL160057 0.85 DGAT1 (0.54) DGAT1CNR1KDRMAPTTEK
SCHEMBL162304 0.85 DGAT1 (0.45) DGAT1CNR1CSGALNACT1KDRKIT
SCHEMBL162024 0.85 MAPT (0.46) DGAT1CNR1TP53MAPT
SCHEMBL166036 0.85 DGAT1 (0.59) DGAT1KDRKITRIPK1MAPT
SCHEMBL160829 0.83 DGAT1 (0.57) DGAT1CNR1KDRKITTP53

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 1/4885CNR1 946/4885CSGALNACT1 750/4885

“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.