SCHEMBL17009588

SCHEMBL17009588

CC(C)(C)OC(=O)N1CCN(Cc2ccc(OC(F)F)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MTNR1B P49286 2/20 0.47
MGLL Q99685 6/20 0.46
DPP4 P27487 1/20 0.46
GPR6 P46095 2/20 0.45
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL18983290 0.89 MTNR1B (0.57) ALDH1A1KDM4EPOLBMTNR1BMGLL
SCHEMBL2843836 0.85 ALDH1A1 (0.69) ALDH1A1KDM4EPOLBMGLLDPP4
SCHEMBL17109170 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EPOLBMTNR1BMGLL
SCHEMBL2234786 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBMTNR1BMGLL
SCHEMBL22172319 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBMTNR1BMGLL
SCHEMBL20971874 0.83 VEGFA (0.57) ALDH1A1KDM4EPOLBMGLLVEGFA
SCHEMBL17092682 0.82 MGLL (0.54) ALDH1A1KDM4EPOLBMGLL
SCHEMBL2232782 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBMTNR1BMGLL
SCHEMBL17009585 0.81 GPR6 (0.48) ALDH1A1KDM4EPOLBMTNR1BMGLL
SCHEMBL10190094 0.80 MCHR1 (0.59) ALDH1A1MTNR1BDPP4GPR119

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 ALDH1A1 1273/4885KDM4E 3538/4885POLB 4808/4885
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 ALDH1A1 1273/4885KDM4E 3538/4885POLB 4808/4885
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 ALDH1A1 1414/4885KDM4E 3463/4885POLB 4818/4885
US-20170174677-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 ALDH1A1 1414/4885KDM4E 3463/4885POLB 4818/4885

“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.