SCHEMBL595393

SCHEMBL595393

CCOC(=O)N1CCC(Nc2ccc(N)cn2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.59
MAP4K4 O95819 1/20 0.57
NOS1 P29475 4/20 0.57
NOS3 P29474 2/20 0.57
CDK1 P06493 3/20 0.48
CDK4 P11802 3/20 0.48
CCND1 P24385 3/20 0.48
CDK2 P24941 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL595392 1.00 NOS2 (0.59) NOS2MAP4K4NOS1NOS3CDK1
SCHEMBL596476 0.87 CDK2 (0.54) NOS2MAP4K4NOS1NOS3CDK1
SCHEMBL596475 0.87 CDK2 (0.54) NOS2MAP4K4NOS1NOS3CDK1
SCHEMBL595857 0.85 USP30 (0.54) MAPTALDH1A1
SCHEMBL529343 0.85 USP30 (0.54) MAPTALDH1A1
SCHEMBL596064 0.85 USP30 (0.54) MAPTALDH1A1
SCHEMBL704374 0.83 NOS2 (0.54) NOS2MAP4K4NOS1NOS3MAPT
SCHEMBL704373 0.83 NOS2 (0.54) NOS2MAP4K4NOS1NOS3MAPT
SCHEMBL596620 0.83 MAPT (0.54) NOS2MAP4K4NOS1NOS3MAPT
SCHEMBL596621 0.83 MAPT (0.54) NOS2MAP4K4NOS1NOS3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
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 (5 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 NOS2 2858/4885MAP4K4 2328/4885NOS1 3167/4885
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT NOS2 2735/4885MAP4K4 2359/4885NOS1 2975/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NOS2 2858/4885MAP4K4 2328/4885NOS1 3167/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NOS2 2858/4885MAP4K4 2328/4885NOS1 3167/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NOS2 2858/4885MAP4K4 2328/4885NOS1 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.