SCHEMBL164651

SCHEMBL164651

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
TP53 P04637 1/20 0.49
TRPV1 Q8NER1 6/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NOD2 Q9HC29 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC4 P56524 1/20 0.43
NR2F2 P24468 1/20 0.42

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
SCHEMBL164685 0.90 KMT2A (0.52) KMT2ATP53TRPV1NPC1LMNA
SCHEMBL174087 0.88 KMT2A (0.53) KMT2ATP53TRPV1NPC1RAB9A
SCHEMBL163647 0.81 KMT2A (0.54) KMT2ATP53NPC1RAB9ANOD2
SCHEMBL163130 0.81 SMO (0.58) KMT2ATP53NPC1RAB9ANOD2
SCHEMBL174631 0.80 KMT2A (0.50) KMT2ATP53NPC1RAB9ANOD2
SCHEMBL160753 0.79 DGAT1 (0.52) TP53TRPV1LMNAMAPT
SCHEMBL174036 0.78 CA12 (0.52) KMT2ATP53NPC1RAB9ANOD2
SCHEMBL406879 0.78 CYP2C9 (0.56) KMT2ATP53NPC1RAB9ANOD2
SCHEMBL408805 0.78 CYP2C9 (0.56) KMT2ATP53NPC1RAB9ANOD2
SCHEMBL162572 0.77 LMNA (0.49) KMT2ATP53NPC1RAB9ANOD2

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 2187/4885TP53 1654/4885TRPV1 2426/4885

“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.