SCHEMBL161913

SCHEMBL161913

CC(C)(CCc1ncc(-c2ccc(NC(=O)N3CCC(c4ccccc4)CC3)cc2)s1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
STAT1 P42224 1/20 0.46
TP53 P04637 4/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MCHR1 Q99705 1/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL165730 0.92 NAMPT (0.45) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL162335 0.87 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL162111 0.85 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPTTP53
Hydrochloric Acid SCHEMBL161862 0.85 KDM4E (0.44) NAMPTSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL178046 0.85 NAMPT (0.47) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL178045 0.84 NAMPT (0.46) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL159074 0.84 DGAT1 (0.42) SMN1; SMN2
SCHEMBL27930202 0.79 OPRM1 (0.35) SMN1; SMN2CYP3A4HTT
SCHEMBL163354 0.78 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL162514 0.78 DGAT1 (0.48) 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 7 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
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
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 NAMPT 32/4885NPC1 86/4885RAB9A 1781/4885

“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.