SCHEMBL163130

SCHEMBL163130

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)o2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 7/20 0.58
KMT2A Q03164 1/20 0.52
TP53 P04637 6/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 3/20 0.48
ACR P10323 1/20 0.47
CYP2C9 P11712 1/20 0.47
HDAC4 P56524 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTBP1 P26599 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.45
NR2E3 Q9Y5X4 1/20 0.44
GRM4 Q14833 1/20 0.44
RAB9A P51151 1/20 0.44
NOD2 Q9HC29 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
SCHEMBL162087 0.89 SMO (0.64) SMOKMT2ATP53LMNACYP2C9
SCHEMBL162572 0.86 LMNA (0.49) KMT2ATP53LMNAMAPTCYP2C9
SCHEMBL163647 0.85 KMT2A (0.54) KMT2ATP53LMNAMAPTCYP2C9
SCHEMBL174380 0.85 TP53 (0.52) KMT2ATP53LMNAMAPTCYP2C9
SCHEMBL406879 0.82 CYP2C9 (0.56) KMT2ATP53LMNAMAPTCYP2C9
SCHEMBL408805 0.82 CYP2C9 (0.56) KMT2ATP53LMNAMAPTCYP2C9
SCHEMBL161847 0.81 NPC1 (0.49) KMT2ATP53LMNAMAPTPOLB
SCHEMBL164651 0.81 KMT2A (0.50) KMT2ATP53LMNAMAPTCYP2C9
SCHEMBL14758420 0.80 KMT2A (0.54) SMOKMT2ATP53LMNAMAPT
SCHEMBL161688 0.80 DGAT1 (0.51) KMT2ATP53LMNAMAPTSMN1; 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 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 SMO 3325/4885KMT2A 2187/4885TP53 1654/4885

“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.