SCHEMBL158790

SCHEMBL158790

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)N(C)C3CCCCC3)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
LCK P06239 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
DGAT1 O75907 2/20 0.39
USP30 Q70CQ3 1/20 0.38
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ABCC1 P33527 1/20 0.35
CCR5 P51681 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
SCHEMBL158330 0.91 RAB9A (0.51) RAB9AATMKMT2APOLBLCK
SCHEMBL163566 0.84 EPHX2 (0.49) RAB9AKDRCYP3A4CYP2D6CYP2C9
SCHEMBL163354 0.81 SMN1; SMN2 (0.45) RAB9AKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL15022240 0.80 DGAT1 (0.36) POLBDGAT1HRH3
SCHEMBL161205 0.78 MAPT (0.46) RAB9AKMT2APOLBMAPTMEN1
SCHEMBL164809 0.78 MAPT (0.42) RAB9AKMT2AKDRDGAT1MAPT
SCHEMBL162879 0.78 RAB9A (0.44) RAB9AKMT2ADGAT1HPGDMEN1
SCHEMBL163250 0.77 DGAT1 (0.54) DGAT1MAPTSMN1; SMN2LMNA
SCHEMBL162311 0.77 MEN1 (0.46) ATMKMT2APOLBMAPTMEN1
SCHEMBL161041 0.76 ATM (0.41) ATMPOLBKDRMAPTHRH3

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 RAB9A 1781/4885ATM 3556/4885KMT2A 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.