SCHEMBL160613

SCHEMBL160613

COC(=O)CCCc1ncc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.50
KDR P35968 1/20 0.47
SCD O00767 1/20 0.47
MCHR1 Q99705 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
DEGS1 O15121 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTPN2 P17706 1/20 0.44
POLB P06746 1/20 0.44
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DGAT1 O75907 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL158827 0.90 PTPN1 (0.51) PTPN1KDRSCDKCNQ3KCNQ2
SCHEMBL162497 0.89 DGAT1 (0.54) TRPV1NR1H4SMN1; SMN2DGAT1
SCHEMBL159279 0.87 TRPV1 (0.48) TRPV1NR1H4SMN1; SMN2DGAT1
SCHEMBL15021986 0.83 RXFP1 (0.50) PTPN1DEGS1CSNK2A2CSNK2A1TRPV1
SCHEMBL160403 0.83 DGAT1 (0.56) TRPV1NR1H4SMN1; SMN2DGAT1
SCHEMBL163569 0.82 PTPN1 (0.48) PTPN1KDRSCDMCHR1KCNQ3
SCHEMBL158605 0.82 SMN1; SMN2 (0.53) MCHR1CSNK2A2CSNK2A1NR1H4STAT3
SCHEMBL161659 0.82 PTPN1 (0.48) PTPN1KDRSCDMCHR1KCNQ3
SCHEMBL163011 0.82 PLAU (0.55) PTPN1DEGS1POLBDGAT1
SCHEMBL160317 0.82 TRPV1 (0.48) TRPV1SMN1; SMN2DGAT1

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 PTPN1 2557/4885KDR 4203/4885SCD 95/4885

“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.