SCHEMBL3666950

SCHEMBL3666950

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.47
JAK3 P52333 5/20 0.38
KDM5A P29375 1/20 0.38
PDE7A Q13946 2/20 0.38
SYK P43405 2/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MC4R P32245 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE4B Q07343 1/20 0.36
MAP4K4 O95819 1/20 0.36
HSD11B1 P28845 1/20 0.36
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 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
SCHEMBL3630593 0.87 JAK2 (0.42) BTKJAK3KDM5ANOS3NOS1
SCHEMBL3265858 0.83 BTK (0.38) BTK
SCHEMBL3228619 0.83 BTK (0.38) BTK
SCHEMBL3635704 0.82 MAPK8 (0.44) NOS3NOS1NOS2MAP4K4
SCHEMBL3630503 0.80 JAK1 (0.45) JAK3NOS3NOS1NOS2MC4R
SCHEMBL3634779 0.80 NOS2 (0.45) SYKNOS3NOS1NOS2MAP4K4
SCHEMBL3637372 0.79 SYK (0.41) SYKNOS3NOS1NOS2MAP4K4
SCHEMBL3811960 0.79 PTPN1 (0.42) JAK3NOS3NOS1NOS2MAP4K4
SCHEMBL3671840 0.79 JAK3 (0.44) BTKJAK3SYKJAK2
SCHEMBL3633983 0.78 CDK1 (0.44) JAK3NOS3NOS1NOS2MAP4K4

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 BTK 3086/4885JAK3 4303/4885KDM5A 2930/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT BTK 3086/4885JAK3 4303/4885KDM5A 2930/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT BTK 3086/4885JAK3 4303/4885KDM5A 2930/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT BTK 3086/4885JAK3 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.