SCHEMBL174659

SCHEMBL174659

O=COC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.49
DGAT1 O75907 5/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX2 P34913 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
SCHEMBL173788 0.92 KDR (0.45) CNR1DGAT1MAPTMEN1RAB9A
SCHEMBL162339 0.90 MAPT (0.42) CNR1DGAT1MAPTMEN1KMT2A
SCHEMBL162781 0.90 DGAT1 (0.47) CNR1DGAT1MAPTMEN1KMT2A
SCHEMBL163071 0.89 DGAT1 (0.44) CNR1DGAT1MAPTMEN1RAB9A
SCHEMBL174149 0.89 DGAT1 (0.55) CNR1DGAT1MAPTMEN1RAB9A
SCHEMBL162085 0.88 DGAT1 (0.53) CNR1DGAT1AURKAKDR
SCHEMBL15022225 0.88 NTRK1 (0.41) CNR1DGAT1MAPTRAB9ASMN1; SMN2
SCHEMBL162707 0.87 DGAT1 (0.44) CNR1DGAT1KMT2AAURKAKDR
SCHEMBL165053 0.87 DGAT1 (0.42) CNR1DGAT1KDR
SCHEMBL163680 0.87 DGAT1 (0.47) CNR1DGAT1MAPTMEN1RAB9A

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 3 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 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 CNR1 946/4885DGAT1 1/4885MAPT 137/4885

“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.