SCHEMBL311583

SCHEMBL311583

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)c[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.48
HTT P42858 1/20 0.46
P2RY14 Q15391 1/20 0.44
TRPV3 Q8NET8 1/20 0.44
MAPT P10636 2/20 0.44
CNR1 P21554 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR35 Q9HC97 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL2062893 0.90 GPR119 (0.51) GPR119HTTTRPV3MAPTCNR1
SCHEMBL2063254 0.88 CNR1 (0.54) GPR119HTTTRPV3MAPTCNR1
SCHEMBL15732675 0.87 PREP (0.43) GPR119HTTTRPV3EPHX2
SCHEMBL16058214 0.87 PREP (0.44) GPR119TRPV3
SCHEMBL27797117 0.86 P2RY14 (0.53) GPR119HTTP2RY14MAPTHPGDS
SCHEMBL6168833 0.86 HTT (0.51) GPR119HTTMAPTHPGDSKDM4E
SCHEMBL3376376 0.86 KMO (0.45)
SCHEMBL15732676 0.84 P2RY14 (0.47) GPR119HTTP2RY14TRPV3MAPT
SCHEMBL311477 0.84 HPGDS (0.48) GPR119HTTP2RY14MAPTHPGDS
SCHEMBL15732681 0.83 GPR119 (0.45) GPR119HTTP2RY14TRPV3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
EP-2755965-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-07-23 EP disclosed
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
CN-102216302-B Akt and p70 s6 kinase inhibitors LILLY CO ELI 2013-08-21 CN disclosed
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
US-8334293-B2 P70 S6 kinase inhibitor and EGFR inhibitor combination therapy ELI LILLY AND COMPANY (US) 2012-12-18 US disclosed
WO-2010056574-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
WO-2010056563-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 US disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 US disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2009023515-A2 REACTORS AND METHODS FOR PROCESSING REACTANTS THEREIN ELI LILLY AND COMPANY (US) 2009-02-19 WO disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR GPR119 1116/4885HTT 1836/4885P2RY14 2781/4885
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 GPR119 715/4885HTT 4478/4885P2RY14 2857/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 GPR119 645/4885HTT 1029/4885P2RY14 2759/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 GPR119 715/4885HTT 4478/4885P2RY14 2857/4885

“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.