SCHEMBL160070

SCHEMBL160070

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.49
TNK2 Q07912 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
CDK8 P49336 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CNR1 P21554 1/20 0.42
EPHX1 P07099 1/20 0.42
MAPK1 P28482 1/20 0.42
S1PR1 P21453 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NTRK1 P04629 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL161939 0.93 DGAT1 (0.56) DGAT1CNR1ALDH1A1
SCHEMBL159426 0.91 DGAT1 (0.59) DGAT1TNK2MAPTRAB9ACNR1
SCHEMBL162685 0.87 DGAT1 (0.46) DGAT1MAPTRAB9ACDK8CNR1
SCHEMBL161803 0.87 DGAT1 (0.61) DGAT1MAPTCNR1
SCHEMBL160635 0.86 CNR1 (0.50) DGAT1MAPTRAB9ACNR1
SCHEMBL161666 0.86 DGAT1 (0.59) DGAT1MAPTRAB9ACNR1MAPK1
SCHEMBL162638 0.85 DGAT1 (0.59) DGAT1MAPTRAB9ACDK8EPHX2
SCHEMBL174112 0.85 DGAT1 (0.48) DGAT1MAPTRAB9ACNR1
SCHEMBL161902 0.84 DGAT1 (0.46) DGAT1MAPTRAB9ACDK8CNR1
SCHEMBL159427 0.84 DGAT1 (0.44) DGAT1CDK8CNR1EPHX1NTRK1

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 1/4885TNK2 417/4885MAPT 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.