SCHEMBL2380357

SCHEMBL2380357

O=C(O)c1oc(N2CCC(c3ccccc3F)CC2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.50
RBP4 P02753 5/20 0.44
MLYCD O95822 1/20 0.39
GRM2 Q14416 1/20 0.39
SLC6A9 P48067 2/20 0.38
CHRM4 P08173 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL12246291 0.88 DGAT1 (0.49) DGAT1RBP4RXFP1
SCHEMBL2145686 0.87 DGAT1 (0.62) DGAT1RBP4MLYCDGRM2RXFP1
SCHEMBL2145392 0.87 DGAT1 (0.45) DGAT1SLC6A9
SCHEMBL2145146 0.85 MEN1 (0.50) DGAT1RBP4CHRM4
SCHEMBL12246295 0.83 DGAT1 (0.55) DGAT1RBP4MLYCDGRM2RXFP1
SCHEMBL2145504 0.83 DGAT1 (0.55) DGAT1MLYCDRXFP1
SCHEMBL12246277 0.80 DGAT1 (0.52) DGAT1RBP4MLYCDRXFP1
SCHEMBL2145972 0.80 HDAC6 (0.51) DGAT1RXFP1
SCHEMBL12246303 0.79 DGAT1 (0.51) DGAT1RBP4MLYCDRXFP1
SCHEMBL2146808 0.78 DGAT1 (0.48) DGAT1RXFP1

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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885RBP4 1257/4885MLYCD 202/4885

“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.