SCHEMBL3635704

SCHEMBL3635704

CC(C)C(=O)N1CCC(Nc2cc[c]c(C(N)=O)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
ROCK2 O75116 2/20 0.43
CYP3A4 P08684 1/20 0.41
JAK1 P23458 1/20 0.41
NOS2 P35228 5/20 0.40
NOS1 P29475 4/20 0.40
EPHX2 P34913 4/20 0.40
NOS3 P29474 2/20 0.40
MAP4K4 O95819 1/20 0.39
NPY5R Q15761 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
OPRM1 P35372 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
SCHEMBL3630593 0.93 JAK2 (0.42) MAPK8MAPK9MAPK10ROCK2JAK1
SCHEMBL3811960 0.85 PTPN1 (0.42) NOS2NOS1EPHX2NOS3MAP4K4
SCHEMBL3634779 0.84 NOS2 (0.45) NOS2NOS1EPHX2NOS3MAP4K4
SCHEMBL3630503 0.84 JAK1 (0.45) ROCK2JAK1NOS2NOS1NOS3
SCHEMBL3637372 0.83 SYK (0.41) MAPK8JAK1NOS2NOS1EPHX2
SCHEMBL2792593 0.82 HCAR3 (0.41) ROCK2HRH3
SCHEMBL3633983 0.82 CDK1 (0.44) JAK1NOS2NOS1EPHX2NOS3
SCHEMBL3666950 0.82 BTK (0.47) NOS2NOS1NOS3MAP4K4
SCHEMBL3636369 0.81 PARP1 (0.45) NOS2NOS1EPHX2NOS3MAP4K4
SCHEMBL3811876 0.81 JAK1 (0.43) CYP3A4JAK1NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK8 1880/4885MAPK9 1129/4885MAPK10 994/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK8 1880/4885MAPK9 1129/4885MAPK10 994/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK8 1880/4885MAPK9 1129/4885MAPK10 994/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MAPK8 1880/4885MAPK9 1129/4885MAPK10 994/4885

“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.