SCHEMBL162335

SCHEMBL162335

CC(C)(CCc1ncc(-c2ccc(NC(=O)N3CCCCC3)cc2)s1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 7/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 1/20 0.44
CNR2 P34972 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.40
DGAT1 O75907 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL162111 0.90 RAB9A (0.46) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL163354 0.90 SMN1; SMN2 (0.45) RAB9ANPC1KMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL161862 0.90 KDM4E (0.44) SMN1; SMN2CNR2ALDH1A1
SCHEMBL159074 0.89 DGAT1 (0.42) SMN1; SMN2DGAT1EPHX2
SCHEMBL161913 0.87 NAMPT (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL163373 0.83 MEN1 (0.50) KMT2AMEN1
SCHEMBL161041 0.82 ATM (0.41) SMN1; SMN2ALDH1A1
SCHEMBL162878 0.82 EPHX1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1DGAT1
SCHEMBL162592 0.81 BLM (0.47) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL158330 0.80 RAB9A (0.51) RAB9AKMT2ASMN1; SMN2MEN1DGAT1

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 RAB9A 1781/4885NPC1 86/4885KMT2A 2187/4885

“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.