SCHEMBL163647

SCHEMBL163647

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
NPC1 O15118 6/20 0.53
CYP2C9 P11712 1/20 0.51
HDAC4 P56524 1/20 0.51
TP53 P04637 6/20 0.48
RAB9A P51151 3/20 0.48
NR2F2 P24468 1/20 0.48
NOD2 Q9HC29 1/20 0.47
LMNA P02545 7/20 0.46
MAPT P10636 3/20 0.46
PAX8 Q06710 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL162572 0.90 LMNA (0.49) KMT2ANPC1CYP2C9HDAC4TP53
SCHEMBL161847 0.90 NPC1 (0.49) KMT2ANPC1TP53RAB9ANR2F2
SCHEMBL161688 0.90 DGAT1 (0.51) KMT2ANPC1TP53RAB9ANOD2
SCHEMBL162433 0.89 NPC1 (0.57) KMT2ANPC1CYP2C9HDAC4TP53
SCHEMBL406879 0.89 CYP2C9 (0.56) KMT2ANPC1CYP2C9HDAC4TP53
SCHEMBL408805 0.89 CYP2C9 (0.56) KMT2ANPC1CYP2C9HDAC4TP53
SCHEMBL163130 0.85 SMO (0.58) KMT2ANPC1CYP2C9HDAC4TP53
SCHEMBL165013 0.84 DGAT1 (0.59) KMT2ANPC1CYP2C9HDAC4TP53
SCHEMBL174380 0.83 TP53 (0.52) KMT2ANPC1CYP2C9HDAC4TP53
SCHEMBL174036 0.82 CA12 (0.52) KMT2ANPC1CYP2C9HDAC4TP53

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 KMT2A 2187/4885NPC1 86/4885CYP2C9 789/4885

“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.