SCHEMBL3630593

SCHEMBL3630593

CC(C)C(=O)N1CC[C@H](Nc2cc[c]c(C(N)=O)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
KDM5A P29375 1/20 0.40
BTK Q06187 2/20 0.39
MC4R P32245 5/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
JAK1 P23458 1/20 0.38
ROCK2 O75116 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GFER P55789 1/20 0.37
KCNH2 Q12809 3/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
EPHX2 P34913 1/20 0.36
PDE4B Q07343 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
SCHEMBL3635704 0.93 MAPK8 (0.44) MAPK8MAPK9MAPK10JAK1ROCK2
SCHEMBL3666950 0.87 BTK (0.47) JAK2JAK3KDM5ABTKMC4R
SCHEMBL3265858 0.83 BTK (0.38) BTK
SCHEMBL3228619 0.83 BTK (0.38) BTK
SCHEMBL3630503 0.82 JAK1 (0.45) JAK2JAK3MC4RJAK1ROCK2
SCHEMBL3811960 0.81 PTPN1 (0.42) JAK2JAK3NOS3NOS1NOS2
SCHEMBL3634779 0.80 NOS2 (0.45) NOS3NOS1NOS2EPHX2MAP4K4
SCHEMBL3637372 0.79 SYK (0.41) MAPK8JAK1NOS3NOS1NOS2
SCHEMBL3671840 0.79 JAK3 (0.44) JAK2JAK3BTKJAK1
SCHEMBL3633983 0.78 CDK1 (0.44) JAK2JAK3JAK1NOS3NOS1

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 9 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 claimed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US claimed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO claimed
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 JAK2 2606/4885JAK3 4303/4885KDM5A 2930/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885JAK3 4303/4885KDM5A 2930/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885JAK3 4303/4885KDM5A 2930/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885JAK3 4303/4885KDM5A 2930/4885

“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.