SCHEMBL173347

SCHEMBL173347

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4F)cc3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.51
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CSGALNACT1 Q8TDX6 1/20 0.41
KDR P35968 2/20 0.41
CNR1 P21554 1/20 0.41
TP53 P04637 1/20 0.40
BRAF P15056 1/20 0.39

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
SCHEMBL161308 0.91 DGAT1 (0.61) DGAT1MAPTHTTSMN1; SMN2CA12
SCHEMBL162780 0.91 DGAT1 (0.61) DGAT1KMT2AMAPTMEN1HTT
SCHEMBL162624 0.90 MAPT (0.46) DGAT1KMT2AMAPTMEN1HTT
SCHEMBL160661 0.90 DGAT1 (0.59) DGAT1MAPTCA12CA1CA2
SCHEMBL164820 0.89 HTR2A (0.43) DGAT1MAPTKDRCNR1BRAF
SCHEMBL160635 0.89 CNR1 (0.50) DGAT1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL15022055 0.89 DGAT1 (0.47) DGAT1MAPTCA12CA1CA2
SCHEMBL162638 0.88 DGAT1 (0.59) DGAT1KMT2AMAPTMEN1HTT
SCHEMBL163741 0.88 DGAT1 (0.48) DGAT1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL173286 0.87 KDR (0.49) DGAT1MAPTSMN1; SMN2KDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 DGAT1 1/4885KMT2A 2187/4885MAPT 137/4885

“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.