SCHEMBL595030

SCHEMBL595030

CC(C)(C)OC(=O)N1CCC(Nc2ncc(N)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.53
BTK Q06187 2/20 0.49
IDH1 O75874 1/20 0.48
PIK3CD O00329 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 1/20 0.46
EPHX1 P07099 1/20 0.44
PARP1 P09874 1/20 0.44
JAK1 P23458 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL595029 1.00 USP30 (0.53) USP30BTKIDH1PIK3CDALDH1A1
SCHEMBL28551386 0.91 USP30 (0.53) USP30BTKIDH1PIK3CDALDH1A1
SCHEMBL22895646 0.91 USP30 (0.53) USP30BTKIDH1PIK3CDALDH1A1
SCHEMBL23292240 0.89 USP30 (0.53) USP30BTKIDH1PIK3CDALDH1A1
SCHEMBL22895509 0.89 USP30 (0.53) USP30BTKIDH1PIK3CDALDH1A1
SCHEMBL28549570 0.89 USP30 (0.53) USP30BTKIDH1PIK3CDALDH1A1
SCHEMBL22895832 0.88 CCNK (0.53) USP30PIK3CDALDH1A1NPC1MAPT
SCHEMBL22895519 0.88 CCNK (0.53) USP30PIK3CDALDH1A1NPC1MAPT
SCHEMBL23292461 0.88 CCNK (0.53) USP30BTKIDH1PIK3CDALDH1A1
SCHEMBL889080 0.88 CCNK (0.53) USP30BTKIDH1PIK3CDALDH1A1

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
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 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-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 USP30 2677/4885BTK 3086/4885IDH1 1427/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT USP30 2677/4885BTK 3086/4885IDH1 1427/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT USP30 2677/4885BTK 3086/4885IDH1 1427/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT USP30 2677/4885BTK 3086/4885IDH1 1427/4885

“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.