SCHEMBL17007709

SCHEMBL17007709

Fc1cc2nc(NC3CC3)c(N3CCNCC3)nc2cc1F

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 19/20 0.50
CYP2D6 P10635 5/20 0.47

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
SCHEMBL15566859 0.88 GPR6 (0.62) GPR6CYP2D6
SCHEMBL15566411 0.83 GPR6 (0.60) GPR6
Hydrochloric Acid SCHEMBL15566557 0.82 GPR6 (0.59) GPR6
Hydrochloric Acid SCHEMBL15566736 0.82 GPR6 (0.59) GPR6
SCHEMBL15567016 0.80 GPR6 (0.63) GPR6
SCHEMBL15566253 0.76 GPR6 (0.66) GPR6
Trifluoroacetic Acid SCHEMBL15566616 0.76 GPR6 (0.64) GPR6
SCHEMBL15567217 0.74 GPR6 (0.84) GPR6CYP2D6
SCHEMBL15566347 0.74 GPR6 (0.84) GPR6CYP2D6
SCHEMBL4317202 0.74 PDE4A (0.43)

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 4 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
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US 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 (2 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 GPR6 1/4885CYP2D6 137/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 GPR6 1/4885CYP2D6 137/4885

“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.