SCHEMBL950789

SCHEMBL950789

CC(C)(C)OC(=O)N1CCC(n2ccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.53
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
BACE1 P56817 1/20 0.44
RECQL P46063 1/20 0.44
EPHX1 P07099 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
SCHEMBL22871669 0.92 GPR119 (0.48) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL484385 0.87 GPR119 (0.45) GPR119PTPN2PTPN1PTPN6CTSD
SCHEMBL7397405 0.86 GPR119 (0.44) GPR119PTPN2PTPN1PTPN6
SCHEMBL18701766 0.81 F10 (0.41) GPR119
SCHEMBL16758411 0.81 GPR119 (0.52) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL3610705 0.80 GPR119 (0.45) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL16615306 0.80 HPGD (0.58) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL18711874 0.79 F10 (0.43) BACE1EPHX1
SCHEMBL28711592 0.78 GPR119 (0.42) GPR119PTPN2PTPN1PTPN6
SCHEMBL2018953 0.77 GPR119 (0.50) GPR119PTPN2PTPN1PTPN6BACE1

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
EP-4558492-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 Therapeutics, Inc. (US) 2025-05-28 EP disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
CN-111704613-B Imidazole derivatives and their use as TRPV4 inhibitors 中国人民解放军军事科学院军事医学研究院 2021-07-06 CN disclosed
CN-111704613-A Imidazole derivatives and their use as TRPV4 inhibitors 中国人民解放军军事科学院军事医学研究院 2020-09-25 CN disclosed
EP-3083591-B1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2018-01-03 EP disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2016-10-27 US disclosed
EP-3083591-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE Merck Patent GmbH (DE) 2016-10-26 EP disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
EP-1963303-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2008-09-03 EP disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO disclosed
EP-1313725-B1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2007-04-11 EP disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
CN-1130358-C Imidazole compound and preparation method and application thereof SMITHKLINE BEECHAM CORP (US) 2003-12-10 CN 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-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE PDK1, PDK3, PDK2 GPR119 1059/4885PTPN2 3977/4885PTPN1 3502/4885
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 GPR119 1327/4885PTPN2 3857/4885PTPN1 3648/4885
US-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 GPR119 362/4885PTPN2 1624/4885PTPN1 1567/4885
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT GPR119 2440/4885PTPN2 2251/4885PTPN1 2501/4885

“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.