SCHEMBL162087

SCHEMBL162087

O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.64
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 1/20 0.52
HDAC4 P56524 1/20 0.52
NPC1 O15118 1/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTBP1 P26599 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM4 Q14833 1/20 0.46

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
SCHEMBL163130 0.89 SMO (0.58) SMOKMT2ACYP2C9HDAC4NPC1
SCHEMBL162433 0.85 NPC1 (0.57) KMT2ACYP2C9HDAC4NPC1LMNA
SCHEMBL161754 0.85 DGAT1 (0.57) SMOKMT2ACYP2C9HDAC4NPC1
SCHEMBL173260 0.84 TP53 (0.52) SMOKMT2ACYP2C9HDAC4NPC1
SCHEMBL14758420 0.82 KMT2A (0.54) SMOKMT2ACYP2C9HDAC4NPC1
SCHEMBL406907 0.81 CYP2C9 (0.58) KMT2ACYP2C9HDAC4NPC1LMNA
SCHEMBL437870 0.81 CYP2C9 (0.58) KMT2ACYP2C9HDAC4NPC1LMNA
SCHEMBL161648 0.80 KMT2A (0.49) KMT2ACYP2C9HDAC4NPC1LMNA
SCHEMBL164685 0.79 KMT2A (0.52) KMT2ACYP2C9HDAC4NPC1LMNA
SCHEMBL4260914 0.79 SMO (1.00) SMOKMT2ACYP2C9NPC1LMNA

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 2187/4885CYP2C9 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.