SCHEMBL3637372

SCHEMBL3637372

NC(=O)c1[c]ccc(NC2CCN(C(=O)C3CC3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.41
JAK1 P23458 1/20 0.39
NOS2 P35228 4/20 0.39
NOS1 P29475 3/20 0.39
NOS3 P29474 1/20 0.39
SMO Q99835 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKD1 Q15139 1/20 0.38
MAPK8 P45983 1/20 0.38
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL3634779 0.86 NOS2 (0.45) SYKNOS2NOS1NOS3MAP4K4
SCHEMBL2792593 0.84 HCAR3 (0.41) SYKPRKD1
SCHEMBL3635704 0.83 MAPK8 (0.44) JAK1NOS2NOS1NOS3MAP4K4
SCHEMBL3636369 0.83 PARP1 (0.45) SYKNOS2NOS1NOS3MAP4K4
SCHEMBL2792089 0.82 ABL1 (0.46) SYKMAP4K4PRKD1
SCHEMBL3633983 0.81 CDK1 (0.44) JAK1NOS2NOS1NOS3MAP4K4
SCHEMBL3811876 0.81 JAK1 (0.43) JAK1NOS2NOS1NOS3MAP4K4
SCHEMBL3811960 0.81 PTPN1 (0.42) NOS2NOS1NOS3MAP4K4EPHX2
SCHEMBL3631872 0.81 KDM4E (0.44) NOS2NOS1NOS3MAP4K4PRKD1
SCHEMBL2793788 0.80 SYK (0.45) SYKPRKD1

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 SYK 4010/4885JAK1 4020/4885NOS2 2858/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SYK 4010/4885JAK1 4020/4885NOS2 2858/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SYK 4010/4885JAK1 4020/4885NOS2 2858/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SYK 4010/4885JAK1 4020/4885NOS2 2858/4885

“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.