SCHEMBL223791

SCHEMBL223791

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.64
PDE4D Q08499 3/20 0.51
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
GPR6 P46095 5/20 0.50
ALK Q9UM73 1/20 0.50

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
SCHEMBL21886989 0.94 GPR119 (0.56) GPR119PDE4BGPR6ALK
SCHEMBL201583 0.87 GPR119 (0.64) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL29825858 0.86 GPR119 (0.54) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL2776116 0.85 GPR119 (0.69) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL227139 0.85 GPR6 (0.58) GPR6
SCHEMBL27150331 0.84 GPR119 (0.47) GPR119GPR6ALK
SCHEMBL15567098 0.84 GPR119 (0.67) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL27111286 0.84 GPR119 (0.55) GPR119ALK
SCHEMBL29826090 0.84 GPR119 (0.55) GPR119ALK
SCHEMBL8089497 0.83 GPR119 (0.56) GPR119PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105230-B1 PYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2021-04-07 EP 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
US-20180346464-A1 SUBSTITUTED PYRIDO[3,4-b]PYRAZINES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2018-12-06 US disclosed
EP-3105216-B1 PYRAZINE MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2018-10-10 EP disclosed
EP-3083620-B1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2018-10-03 EP disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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-10597392-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 17/4885PDE4D 859/4885PDE4A 516/4885
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 17/4885PDE4D 859/4885PDE4A 516/4885
US-20180346464-A1 SUBSTITUTED PYRIDO[3,4-b]PYRAZINES AS GPR6 MODULATORS GPR6, GPR65, GPR55 GPR119 12/4885PDE4D 875/4885PDE4A 466/4885
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 GPR119 225/4885PDE4D 4790/4885PDE4A 4618/4885
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 GPR119 16/4885PDE4D 898/4885PDE4A 549/4885
US-10273225-B2 Pyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 11/4885PDE4D 920/4885PDE4A 499/4885
US-10738046-B2 Substituted pyrido[3,4-b]pyrazines as GPR6 modulators GPR6, GPR65, GPR55 GPR119 12/4885PDE4D 875/4885PDE4A 466/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 GPR119 1708/4885PDE4D 4868/4885PDE4A 4872/4885

“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.