SCHEMBL159074

SCHEMBL159074

CC(C)(CCc1ncc(-c2ccc(NC(=O)N3CCC(F)(F)CC3)cc2)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
NPY5R Q15761 2/20 0.38
TRPV1 Q8NER1 7/20 0.37
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PANK3 Q9H999 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
P2RX7 Q99572 1/20 0.35
SYK P43405 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
SCHEMBL163377 0.91 DGAT1 (0.39) DGAT1HDAC3HDAC1HDAC2TRPV1
SCHEMBL162335 0.89 RAB9A (0.44) DGAT1EPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL161862 0.87 KDM4E (0.44) HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL162111 0.87 RAB9A (0.46) SMN1; SMN2
SCHEMBL161913 0.84 NAMPT (0.47) SMN1; SMN2
SCHEMBL163354 0.80 SMN1; SMN2 (0.45) EPHX2SMN1; SMN2
SCHEMBL161041 0.79 ATM (0.41) HDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL162592 0.78 BLM (0.47) SMN1; SMN2
SCHEMBL174042 0.78 CNR1 (0.43) DGAT1
SCHEMBL165730 0.77 NAMPT (0.45) SMN1; SMN2

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 1/4885HDAC3 688/4885HDAC1 949/4885

“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.