SCHEMBL3630503

SCHEMBL3630503

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.45
NOS2 P35228 5/20 0.39
NOS1 P29475 4/20 0.39
NOS3 P29474 2/20 0.39
MAP4K4 O95819 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CACNA1B Q00975 2/20 0.37
ROCK2 O75116 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MC4R P32245 1/20 0.35
KCNH2 Q12809 1/20 0.35
OPRM1 P35372 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL3811960 0.89 PTPN1 (0.42) NOS2NOS1NOS3MAP4K4KMT2A
SCHEMBL3633983 0.88 CDK1 (0.44) JAK1NOS2NOS1NOS3MAP4K4
SCHEMBL3629596 0.86 GNAI3 (0.43) NOS2NOS1NOS3MAP4K4CDK1
SCHEMBL3634779 0.86 NOS2 (0.45) NOS2NOS1NOS3MAP4K4
SCHEMBL3635704 0.84 MAPK8 (0.44) JAK1NOS2NOS1NOS3MAP4K4
SCHEMBL3811876 0.83 JAK1 (0.43) JAK1NOS2NOS1NOS3MAP4K4
SCHEMBL3630593 0.82 JAK2 (0.42) JAK1NOS2NOS1NOS3MAP4K4
SCHEMBL3631872 0.81 KDM4E (0.44) NOS2NOS1NOS3MAP4K4CNR2
SCHEMBL3810048 0.80 L3MBTL1 (0.48) KMT2AHRH3
SCHEMBL3666950 0.80 BTK (0.47) NOS2NOS1NOS3MAP4K4JAK2

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 JAK1 4020/4885NOS2 2858/4885NOS1 3167/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK1 4020/4885NOS2 2858/4885NOS1 3167/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK1 4020/4885NOS2 2858/4885NOS1 3167/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK1 4020/4885NOS2 2858/4885NOS1 3167/4885

“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.