SCHEMBL173698

SCHEMBL173698

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cccc(Cl)c4F)cc3)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.50
CNR1 P21554 1/20 0.40
CDK8 P49336 1/20 0.38
CSF1R P07333 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
RAF1 P04049 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL161666 0.92 DGAT1 (0.59) DGAT1CNR1MAPTTP53KIT
SCHEMBL163679 0.90 DGAT1 (0.61) DGAT1CNR1CDK8CSF1RMAPT
SCHEMBL162638 0.89 DGAT1 (0.59) DGAT1CDK8MAPTKDRTEK
SCHEMBL15022055 0.89 DGAT1 (0.47) DGAT1MAPTTP53KDR
SCHEMBL160635 0.87 CNR1 (0.50) DGAT1CNR1MAPTTP53KDR
SCHEMBL163680 0.87 DGAT1 (0.47) DGAT1CNR1CDK8CSF1RMAPT
SCHEMBL173347 0.86 DGAT1 (0.51) DGAT1CNR1MAPTTP53KDR
SCHEMBL161939 0.86 DGAT1 (0.56) DGAT1CNR1KITKDR
SCHEMBL160661 0.86 DGAT1 (0.59) DGAT1MAPTTP53KDR
SCHEMBL161039 0.86 LCK (0.46) DGAT1CNR1RAF1KDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 946/4885CDK8 1761/4885

“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.