SCHEMBL17007703

SCHEMBL17007703

COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 15/20 0.62
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.49

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
SCHEMBL15565852 0.88 GPR6 (0.70) GPR6
SCHEMBL17007734 0.84 GPR6 (0.63) GPR6ALDH1A1POLB
SCHEMBL17007634 0.81 GPR6 (0.68) GPR6
SCHEMBL15567484 0.80 GPR6 (0.77) GPR6
SCHEMBL17007702 0.79 GPR6 (0.66) GPR6
SCHEMBL15566683 0.79 GPR6 (0.66) GPR6
SCHEMBL17007631 0.79 GPR6 (0.70) GPR6
SCHEMBL15566757 0.79 GPR6 (0.68) GPR6
SCHEMBL17007770 0.79 GPR6 (0.65) GPR6MAPT
SCHEMBL17007650 0.77 GPR6 (0.72) GPR6RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885KDM4E 3600/4885ALDH1A1 1308/4885

“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.