SCHEMBL164820

SCHEMBL164820

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4C(F)(F)F)cc3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DGAT1 O75907 7/20 0.42
KDR P35968 8/20 0.40
BRAF P15056 5/20 0.40
NTRK1 P04629 1/20 0.39
CNR1 P21554 1/20 0.39
MAPT P10636 1/20 0.39
CSF1R P07333 1/20 0.38

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
SCHEMBL170873 0.91 DGAT1 (0.51) HTR2AHTR2CDGAT1NTRK1CNR1
SCHEMBL173347 0.89 DGAT1 (0.51) DGAT1KDRBRAFCNR1MAPT
SCHEMBL158660 0.88 DGAT1 (0.49) DGAT1KDRBRAFCSF1R
SCHEMBL162624 0.88 MAPT (0.46) DGAT1CNR1MAPT
SCHEMBL15022225 0.87 NTRK1 (0.41) HTR2AHTR2CDGAT1KDRBRAF
SCHEMBL161967 0.87 KDR (0.46) DGAT1KDRBRAFNTRK1CSF1R
SCHEMBL160635 0.87 CNR1 (0.50) DGAT1KDRCNR1MAPT
SCHEMBL158961 0.86 L3MBTL1 (0.46) DGAT1KDRBRAFCNR1CSF1R
SCHEMBL161902 0.85 DGAT1 (0.46) DGAT1KDRBRAFCNR1MAPT
SCHEMBL161803 0.83 DGAT1 (0.61) DGAT1KDRCNR1MAPT

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 HTR2A 3040/4885HTR2C 3102/4885DGAT1 1/4885

“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.