SCHEMBL2396006

SCHEMBL2396006

O=C(O)c1oc(N2CCCc3ccccc32)nc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ2 P63252 1/20 0.41
P2RY1 P47900 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK1 Q13464 1/20 0.39
DGAT1 O75907 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
MDM2 Q00987 1/20 0.39
NOTUM Q6P988 1/20 0.39
PDE4B Q07343 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2397784 0.93 DGAT1 (0.38) KCNJ2SMN1; SMN2ROCK1DGAT1RXRA
SCHEMBL2145529 0.79 ALDH1A1 (0.39) DGAT1NPSR1L3MBTL1ALDH1A1
SCHEMBL2391589 0.77 HDAC6 (0.47) DGAT1MDM2MEN1KMT2AHTT
SCHEMBL2392748 0.75 DGAT1 (0.75) DGAT1
SCHEMBL10145276 0.74 ALDH1A1 (0.46) KCNJ2P2RY1SMN1; SMN2ROCK1RXRA
SCHEMBL2145624 0.72 DGAT1 (0.49) DGAT1
SCHEMBL2394792 0.71 DGAT1 (0.43) SMN1; SMN2DGAT1POLBALDH1A1MAPT
SCHEMBL2145526 0.71 DGAT1 (0.51) DGAT1
SCHEMBL2145224 0.69 DGAT1 (0.54) DGAT1MDM2ALDH1A1
SCHEMBL2145228 0.69 DGAT1 (0.54) DGAT1MDM2ALDH1A1

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 KCNJ2 1970/4885P2RY1 1951/4885SMN1; SMN2 4679/4885

“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.