SCHEMBL2603216

SCHEMBL2603216

CC(C)C1CCN(CC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.41
OPRL1 P41146 3/20 0.37
OPRM1 P35372 2/20 0.37
HTT P42858 1/20 0.35
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL824228 0.82 HSD17B10 (0.44) SMN1; SMN2CPN1CPB2
SCHEMBL15247296 0.82 SMN1; SMN2 (0.37) SMN1; SMN2POLBHTTCPN1CPB2
SCHEMBL10644357 0.81 KDM4E (0.41) KDM4ESMN1; SMN2POLBPKMTSHR
SCHEMBL26890387 0.81 SMN1; SMN2 (0.36) SMN1; SMN2POLBHTTALDH1A1
SCHEMBL22794329 0.81 SMN1; SMN2 (0.36) SMN1; SMN2POLBHTTALDH1A1
SCHEMBL14752171 0.80 KDM4E (0.41) KDM4ESMN1; SMN2POLBPKMTSHR
SCHEMBL24330246 0.79 GAA (0.47) KDM4ESMN1; SMN2PKMTSHRCPN1
SCHEMBL18468083 0.79 KDM4E (0.42) KDM4ESMN1; SMN2POLBPKMTSHR
SCHEMBL11981499 0.78 KDM4E (0.48) KDM4ESMN1; SMN2POLBPKMTSHR
SCHEMBL26452614 0.78 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2POLBPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-9340504-B2 Pyridine and piperidine derivatives as novel sodium channel blockers PURDUE PHARMA L.P. (US) 2016-05-17 US disclosed
US-20150141434-A1 PYRIDINE AND PIPERIDINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
EP-2124951-B1 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2014-05-21 EP disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US 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 (8 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB KDM4E 4147/4885SMN1; SMN2 3309/4885POLB 275/4885
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 KDM4E 3805/4885SMN1; SMN2 2552/4885POLB 3406/4885
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 KDM4E 636/4885SMN1; SMN2 1874/4885POLB 1262/4885
US-20150141434-A1 PYRIDINE AND PIPERIDINE DERIVATIVES AND USE THEREOF CACNA1A, TRPV1, CACNA1E KDM4E 478/4885SMN1; SMN2 468/4885POLB 4314/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KDM4E 4660/4885SMN1; SMN2 2134/4885POLB 250/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 KDM4E 2261/4885SMN1; SMN2 2427/4885POLB 3451/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD KDM4E 4647/4885SMN1; SMN2 2248/4885POLB 225/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB KDM4E 4147/4885SMN1; SMN2 3309/4885POLB 275/4885

“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.