SCHEMBL460272

SCHEMBL460272

CC(C)(C)OC(=O)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
GPR119 Q8TDV5 1/20 0.46
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.43
CYP3A4 P08684 2/20 0.42
HPGDS O60760 1/20 0.42
GRM1 Q13255 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
DPP4 P27487 1/20 0.41
CYP3A5 P20815 1/20 0.41
S1PR2 O95136 1/20 0.41
BRD3 Q15059 1/20 0.40

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
SCHEMBL4245359 0.91 SMN1; SMN2 (0.45) GRM5GPR119ESR2SMN1; SMN2NR1H2
SCHEMBL459705 0.87 HPGDS (0.53) GPR119SMN1; SMN2HPGDSBRD3
SCHEMBL16825145 0.86 GRM5 (0.47) GRM5GPR119ESR2SMN1; SMN2NR1H2
SCHEMBL4635083 0.84 GRM5 (0.46) GRM5GPR119ESR2SMN1; SMN2NR1H2
SCHEMBL15537145 0.84 CYP3A4 (0.50) GRM5ESR2NR1H2CYP3A4MEN1
SCHEMBL18280097 0.84 GRM5 (0.46) GRM5GPR119ESR2NR1H2CYP3A4
SCHEMBL20971857 0.82 GRM5 (0.45) GRM5GPR119ESR2NR1H2GRM1
SCHEMBL16113858 0.82 GRM5 (0.47) GRM5GPR119ESR2NR1H2CYP3A4
SCHEMBL16113568 0.82 GRM5 (0.43) GRM5GPR119ESR2SMN1; SMN2NR1H2
SCHEMBL20971740 0.81 NR1H2 (0.55) GRM5GPR119ESR2NR1H2F13A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GRM5 9/4885GPR119 25/4885ESR2 1941/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GRM5 9/4885GPR119 25/4885ESR2 1941/4885
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR GRM5 1905/4885GPR119 1784/4885ESR2 2414/4885

“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.