SCHEMBL4768413

SCHEMBL4768413

CC(C)(C)OC(=O)N1CCC(Sc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MMP13 P45452 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GCK P35557 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20002136 0.92 GPR119 (0.49) GPR119MEN1KMT2AMMP13PTPN2
SCHEMBL1532538 0.88 GPR119 (0.55) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL4777861 0.88 GPR119 (0.69) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL22759260 0.88 GPR119 (0.62) GPR119MEN1KMT2AMMP13PTPN2
SCHEMBL4773741 0.87 MAPT (0.54) GPR119KMT2AMMP13PTPN2PTPN1
SCHEMBL1886051 0.86 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL2797073 0.86 STS (0.57) GPR119MEN1KMT2APTPN2PTPN1
SCHEMBL4768561 0.86 GPR119 (0.54) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL5440270 0.86 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL16422836 0.86 HDAC1 (0.47) GPR119MEN1KMT2AMMP13

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-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
EP-3105230-B1 PYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2021-04-07 EP disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
US-10738046-B2 Substituted pyrido[3,4-b]pyrazines as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-11 US disclosed
US-10597392-B2 Tetrahydropyridopyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-03-24 US disclosed
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 ENVOY THERAPEUTICS, INC. 2019-08-29 US disclosed
US-10273225-B2 Pyrazines as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-30 US disclosed
EP-3453709-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2019-03-13 EP disclosed
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 Taketa Pharmaceutical Company Limited (JP) 2019-01-15 US disclosed
WO-2015123505-A1 PYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 WO disclosed
WO-2015095728-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-25 WO disclosed
US-20150175602-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-25 US disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 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 (9 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-20150175602-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 GPR119 16/4885MEN1 3900/4885KMT2A 3430/4885
US-10597392-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 17/4885MEN1 3843/4885KMT2A 3337/4885
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 17/4885MEN1 3843/4885KMT2A 3337/4885
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 GPR119 16/4885MEN1 3900/4885KMT2A 3430/4885
US-10273225-B2 Pyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 11/4885MEN1 3958/4885KMT2A 3837/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 GPR119 447/4885MEN1 2216/4885KMT2A 2421/4885
US-10738046-B2 Substituted pyrido[3,4-b]pyrazines as GPR6 modulators GPR6, GPR65, GPR55 GPR119 12/4885MEN1 3891/4885KMT2A 3723/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 GPR119 1008/4885MEN1 4869/4885KMT2A 4424/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 GPR119 1008/4885MEN1 4869/4885KMT2A 4424/4885

“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.