SCHEMBL6523618

SCHEMBL6523618

COc1cc(F)ccc1OC1CCN(C(=O)[C@H](C(C)C)N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
GPR6 P46095 11/20 0.40

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
SCHEMBL6524778 0.90 GPR6 (0.46) GPR6
SCHEMBL6523336 0.90 GPR6 (0.38) PDE4BGPR6
SCHEMBL6524594 0.90 HRH1 (0.46) GPR6
SCHEMBL6520938 0.89 GPR6 (0.38) PDE4BGPR6
SCHEMBL6522508 0.87 HTR2C (0.42) PDE4BPDE4APDE4CPDE4DGPR6
SCHEMBL6523908 0.86 TBK1 (0.41) GPR6
SCHEMBL6518469 0.86 PTGDR (0.43) PDE4BGPR6
SCHEMBL6518854 0.84 NAMPT (0.44)
SCHEMBL6524790 0.84 NAMPT (0.44)
SCHEMBL6524517 0.84 GPR6 (0.41) GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 PDE4B 3268/4885PDE4A 2510/4885PDE4C 3438/4885

“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.