SCHEMBL163377

SCHEMBL163377

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TRPV1 Q8NER1 10/20 0.37
PDGFRB P09619 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL159074 0.91 DGAT1 (0.42) DGAT1HDAC3HDAC1HDAC2TRPV1
SCHEMBL163354 0.89 SMN1; SMN2 (0.45) KMT2AALDH1A1
SCHEMBL161041 0.88 ATM (0.41) HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL162592 0.88 BLM (0.47) CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL165730 0.84 NAMPT (0.45) CYP2C9CYP3A4TSHRKMT2AALDH1A1
SCHEMBL162335 0.80 RAB9A (0.44) DGAT1KMT2AALDH1A1
SCHEMBL164809 0.80 MAPT (0.42) DGAT1KMT2A
SCHEMBL162879 0.79 RAB9A (0.44) DGAT1KMT2A
SCHEMBL162111 0.78 RAB9A (0.46) CYP2C19CYP2C9KMT2AALDH1A1
Hydrochloric Acid SCHEMBL161862 0.78 KDM4E (0.44) HDAC3HDAC1HDAC2ALDH1A1

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.