SCHEMBL17009554

SCHEMBL17009554

Fc1cc(OC(F)F)ccc1CN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.46
GPR6 P46095 2/20 0.46
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 5/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
SLC6A2 P23975 4/20 0.40
KCNH2 Q12809 4/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
MLNR O43193 1/20 0.39
ADRB2 P07550 1/20 0.39
MTNR1B P49286 1/20 0.38

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
Hydrochloric Acid SCHEMBL17009597 0.99 GPR6 (0.45) SOS1GPR6KDM4ESMN1; SMN2SLC6A4
SCHEMBL17009558 0.83 CYP1A2 (0.54) SOS1KDM4ESLC6A4CYP1A2CHRM2
SCHEMBL17009585 0.80 GPR6 (0.48) GPR6KDM4ESMN1; SMN2LMNAADRB2
SCHEMBL2924537 0.77 KDM4E (0.70) KDM4ESMN1; SMN2SLC6A4CYP1A2CHRM2
Hydrochloric Acid SCHEMBL1238937 0.76 KDM4E (0.68) KDM4ESMN1; SMN2SLC6A4CYP1A2CHRM2
Hydrochloric Acid SCHEMBL15568255 0.76 KDM4E (0.68) KDM4ESMN1; SMN2SLC6A4CYP1A2CHRM2
SCHEMBL13531675 0.75 KDM4E (0.49) SOS1KDM4ESMN1; SMN2SLC6A4CYP1A2
SCHEMBL20971765 0.75 CXCR3 (0.57) SOS1KDM4ESMN1; SMN2
SCHEMBL626141 0.75 OPRM1 (0.49) KDM4ESMN1; SMN2SLC6A4CYP1A2CHRM2
SCHEMBL2961101 0.75 KDM4E (0.49) SOS1KDM4ESMN1; SMN2SLC6A4CYP1A2

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 SOS1 3867/4885GPR6 1/4885KDM4E 3538/4885
US-10179783-B2 Tetrahydropyridopyrazines as modulators of GPR6 GPR6, GPR65, GPR52 SOS1 3867/4885GPR6 1/4885KDM4E 3538/4885
US-20190263801-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 SOS1 3975/4885GPR6 1/4885KDM4E 3463/4885
US-20170174677-A1 TETRAHYDROPYRIDOPYRAZINES MODULATORS OF GPR6 GPR6, GPR52, GPR65 SOS1 3975/4885GPR6 1/4885KDM4E 3463/4885

“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.