SCHEMBL163741

SCHEMBL163741

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.48
MTOR P42345 1/20 0.42
JAK1 P23458 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
KDR P35968 3/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 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
SCHEMBL160661 0.91 DGAT1 (0.59) DGAT1MAPTKDRPDGFRB
SCHEMBL160673 0.90 DGAT1 (0.49) DGAT1MEN1KMT2AMAPTKDR
SCHEMBL174097 0.90 DGAT1 (0.58) DGAT1MEN1KMT2AMAPTKDR
SCHEMBL163070 0.89 DGAT1 (0.59) DGAT1JAK1KCNJ6KCNJ5KCNJ3
SCHEMBL174112 0.89 DGAT1 (0.48) DGAT1KMT2AMAPTKDREGFR
SCHEMBL173286 0.88 KDR (0.49) DGAT1MAPTKDRPDGFRBKIT
SCHEMBL161827 0.88 DGAT1 (0.47) DGAT1MTORJAK1MEN1KMT2A
SCHEMBL160635 0.88 CNR1 (0.50) DGAT1MEN1KMT2AMAPTKDR
SCHEMBL15022055 0.88 DGAT1 (0.47) DGAT1MAPTKDRPDGFRB
SCHEMBL161902 0.88 DGAT1 (0.46) DGAT1MEN1KMT2AMAPTKDR

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 1/4885MTOR 996/4885JAK1 3885/4885

“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.