SCHEMBL162624

SCHEMBL162624

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(Cl)ccc4C)cc3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
DGAT1 O75907 10/20 0.44
CNR1 P21554 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL162338 0.91 DGAT1 (0.54) MAPTPKMHTTDGAT1CNR1
SCHEMBL160635 0.91 CNR1 (0.50) MAPTDGAT1CNR1MEN1KMT2A
SCHEMBL173347 0.90 DGAT1 (0.51) MAPTHTTDGAT1CNR1MEN1
SCHEMBL161902 0.88 DGAT1 (0.46) MAPTHTTDGAT1CNR1MEN1
SCHEMBL164820 0.88 HTR2A (0.43) MAPTDGAT1CNR1
SCHEMBL163045 0.87 DGAT1 (0.47) MAPTDGAT1
SCHEMBL161666 0.86 DGAT1 (0.59) MAPTDGAT1CNR1MEN1LMNA
SCHEMBL162339 0.86 MAPT (0.42) MAPTPKMHTTDGAT1CNR1
SCHEMBL162685 0.86 DGAT1 (0.46) MAPTDGAT1CNR1MEN1KMT2A
SCHEMBL161803 0.85 DGAT1 (0.61) MAPTDGAT1CNR1TP53

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 MAPT 137/4885PKM 2066/4885HTT 574/4885

“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.