SCHEMBL161058

SCHEMBL161058

CCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
CNR2 P34972 5/20 0.40
CNR1 P21554 3/20 0.40
CRACR2A Q9BSW2 3/20 0.38
CSF1R P07333 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
RORC P51449 1/20 0.37
PPARG P37231 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL161051 0.89 ITGB1 (0.43) DGAT1ITGB1ITGA4CNR2CNR1
SCHEMBL160518 0.81 DGAT1 (0.42) DGAT1L3MBTL1MEN1KMT2A
SCHEMBL163875 0.81 DGAT1 (0.44) DGAT1L3MBTL1MEN1KMT2ATRPV1
SCHEMBL163102 0.81 L3MBTL1 (0.42) DGAT1L3MBTL1MEN1KMT2A
SCHEMBL161469 0.80 DGAT1 (0.49) DGAT1L3MBTL1MEN1KMT2ATRPV1
SCHEMBL162190 0.80 DGAT1 (0.58) DGAT1
SCHEMBL161945 0.79 DGAT1 (0.51) DGAT1L3MBTL1MEN1KMT2A
SCHEMBL162246 0.79 DGAT1 (0.41) DGAT1L3MBTL1MEN1KMT2ATRPV1
SCHEMBL159068 0.79 CRACR2A (0.40) DGAT1CRACR2ACSF1RPOLB
SCHEMBL161358 0.78 DGAT1 (0.52) DGAT1

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 1/4885ITGB1 4167/4885ITGA4 4570/4885

“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.