SCHEMBL161967

SCHEMBL161967

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4Cl)cc3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.46
FLT3 P36888 1/20 0.46
CSF1R P07333 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
DGAT1 O75907 6/20 0.45
NTRK1 P04629 2/20 0.45
BRAF P15056 1/20 0.44
KMT2A Q03164 1/20 0.43
IDH1 O75874 1/20 0.42
RIPK1 Q13546 1/20 0.40

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
SCHEMBL162826 0.91 DGAT1 (0.55) KDRFLT3CSF1RCA12CA1
SCHEMBL15022189 0.88 DGAT1 (0.54) KDRCSF1RDGAT1NTRK1BRAF
SCHEMBL164820 0.87 HTR2A (0.43) KDRCSF1RDGAT1NTRK1BRAF
SCHEMBL161666 0.86 DGAT1 (0.59) KDRDGAT1KMT2A
SCHEMBL173347 0.84 DGAT1 (0.51) KDRCA12CA1CA2CA9
SCHEMBL158961 0.84 L3MBTL1 (0.46) KDRCSF1RDGAT1BRAF
SCHEMBL173698 0.84 DGAT1 (0.50) KDRCSF1RDGAT1
SCHEMBL160635 0.83 CNR1 (0.50) KDRFLT3DGAT1KMT2A
SCHEMBL158660 0.83 DGAT1 (0.49) KDRFLT3CSF1RDGAT1BRAF
SCHEMBL163045 0.83 DGAT1 (0.47) KDRDGAT1NTRK1BRAF

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 KDR 4203/4885FLT3 4106/4885CSF1R 2409/4885

“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.