Sugi Predict

Sugi Predict / Compounds / SCHEMBL595609

SCHEMBL595609

SCHEMBL595609

CC(C)(C)OC(=O)N1CCC(Nc2ccc(N)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ DDB1 Q16531 1/20 0.56
▸ CRBN Q96SW2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SYK P43405 1/20 0.53
▸ GPR119 Q8TDV5 3/20 0.52
▸ JAK1 P23458 1/20 0.52
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.48
▸ NOS2 P35228 1/20 0.48

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
SCHEMBL529343 0.93 USP30 (0.54) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL596064 0.93 USP30 (0.54) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL595857 0.93 USP30 (0.54) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL16976334 0.88 SYK (0.58) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL2419028 0.88 ALDH1A1 (0.57) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL529396 0.88 USP30 (0.49) ALDH1A1DDB1CRBNSYKJAK1
SCHEMBL1938074 0.87 GPR119 (0.56) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL2774486 0.87 ALDH1A1 (0.56) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL22825511 0.87 ALDH1A1 (0.56) ALDH1A1DDB1CRBNNPC1MAPT
SCHEMBL3117391 0.87 ALDH1A1 (0.56) ALDH1A1DDB1CRBNNPC1MAPT

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 — — US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 — — US disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 — — US disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 — — US disclosed
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-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-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
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 — — US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 — — 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
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 — — US disclosed
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 — — US disclosed
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 — — US disclosed
EP-1943243-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-07-16 — — EP disclosed
WO-2007053394-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 — — WO disclosed
WO-2007053394-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 — — 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 (3 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-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS ALDH1A1 4351/4885DDB1 783/4885CRBN 2485/4885
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885DDB1 3234/4885CRBN 4849/4885
US-20080269244-A1 Kinase Inhibitors MAP3K1, MAP3K20, MAP3K19 ALDH1A1 2938/4885DDB1 2556/4885CRBN 1196/4885

“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.