SCHEMBL2145228

SCHEMBL2145228

O=C(O)c1oc(N2CCC[C@H](c3ccccc3)C2)nc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.54
SCN9A Q15858 1/20 0.42
NAPEPLD Q6IQ20 4/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FFAR4 Q5NUL3 4/20 0.40
SCD5 Q86SK9 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
SCHEMBL2145556 1.00 DGAT1 (0.54) DGAT1SCN9ANAPEPLDMDM2ALDH1A1
SCHEMBL2145224 1.00 DGAT1 (0.54) DGAT1SCN9ANAPEPLDMDM2ALDH1A1
SCHEMBL12246295 0.93 DGAT1 (0.55) DGAT1NAPEPLDMDM2SCD5
SCHEMBL2145954 0.92 DGAT1 (0.48) DGAT1MDM2
SCHEMBL2145318 0.91 DGAT1 (0.45) DGAT1
SCHEMBL2145512 0.90 DGAT1 (0.46) DGAT1SCD5
SCHEMBL2145499 0.89 DGAT1 (0.45) DGAT1
SCHEMBL2145392 0.89 DGAT1 (0.45) DGAT1
SCHEMBL2145708 0.88 ALDH1A1 (0.44) DGAT1ALDH1A1
SCHEMBL2145686 0.86 DGAT1 (0.62) DGAT1

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
EP-2346853-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-07-27 EP 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 2/4885SCN9A 3768/4885NAPEPLD 248/4885

“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.