SCHEMBL2397784

SCHEMBL2397784

O=C(O)c1oc(N2CCc3ccccc32)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.38
CSNK2A1 P68400 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
ROCK1 Q13464 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
KCNJ2 P63252 1/20 0.36

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
SCHEMBL2396006 0.93 KCNJ2 (0.41) DGAT1ALDH1A1NPSR1RAB9ASMN1; SMN2
SCHEMBL2391589 0.81 HDAC6 (0.47) DGAT1ALDH1A1LMNATSHRNPC1
SCHEMBL2395768 0.74 DGAT1 (0.75) DGAT1
SCHEMBL2145529 0.74 ALDH1A1 (0.39) DGAT1ALDH1A1LMNATSHRNPSR1
SCHEMBL2145624 0.71 DGAT1 (0.49) DGAT1
SCHEMBL2397037 0.71 DGAT1 (0.47) DGAT1
SCHEMBL2394792 0.71 DGAT1 (0.43) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2390869 0.70 DGAT1 (0.51) DGAT1
SCHEMBL2145526 0.70 DGAT1 (0.51) DGAT1
SCHEMBL12246295 0.70 DGAT1 (0.55) DGAT1NPC1RAB9ARXFP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 US disclosed
EP-2367598-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-09-28 EP disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059602-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-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885CSNK2A1 2888/4885ALDH1A1 670/4885

“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.