SCHEMBL17009591

SCHEMBL17009591

CC(C)(C)OC(=O)N1CCC(Oc2ccc(OC(F)F)cc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.64
PDE4D Q08499 3/20 0.60
PDE4B Q07343 3/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
ALDH1A1 P00352 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM1A O60341 1/20 0.46
STS P08842 1/20 0.46
DPP4 P27487 1/20 0.46
GPR6 P46095 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
SCHEMBL16818268 0.90 GPR119 (0.65) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL23410111 0.87 GPR119 (0.61) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2776116 0.86 GPR119 (0.69) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL15565981 0.85 GPR119 (0.60) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL15567098 0.85 GPR119 (0.67) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL27151216 0.85 GPR119 (0.47) GPR119PDE4DPDE4B
SCHEMBL27151214 0.85 GPR119 (0.47) GPR119PDE4DPDE4B
SCHEMBL13718678 0.84 GPR119 (0.66) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL17008808 0.84 GPR119 (0.66) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL5971305 0.84 GPR119 (0.66) GPR119PDE4DPDE4BPDE4APDE4C

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 7 patents. 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-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-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 Taketa Pharmaceutical Company Limited (JP) 2019-01-15 US disclosed
US-20170174677-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 ENVOY THERAPEUTICS, INC. 2017-06-22 US disclosed
EP-3105230-A1 PYRIDOPYRAZINES MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2016-12-21 EP disclosed
WO-2015123505-A1 PYRIDOPYRAZINES MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 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-10597392-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 17/4885PDE4D 859/4885PDE4B 803/4885
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 GPR119 17/4885PDE4D 859/4885PDE4B 803/4885
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 GPR119 16/4885PDE4D 898/4885PDE4B 866/4885
US-20170174677-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 GPR119 16/4885PDE4D 898/4885PDE4B 866/4885

“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.