SCHEMBL6523908

SCHEMBL6523908

CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2C#N)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.41
GPR6 P46095 13/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE9A O76083 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
SCHEMBL6521585 0.88 GPR6 (0.36) GPR6
SCHEMBL6524778 0.88 GPR6 (0.46) GPR6
SCHEMBL6523336 0.87 GPR6 (0.38) GPR6HRH1CCR3
SCHEMBL6524594 0.87 HRH1 (0.46) GPR6HRH1CCR3KCNH2
SCHEMBL6523618 0.86 PDE4B (0.42) GPR6
SCHEMBL6520938 0.86 GPR6 (0.38) GPR6HRH1CCR3
SCHEMBL6518854 0.82 NAMPT (0.44)
SCHEMBL6524790 0.82 NAMPT (0.44)
SCHEMBL6518469 0.82 PTGDR (0.43) GPR6HRH1CCR3
SCHEMBL6524517 0.82 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 TBK1 3995/4885GPR6 1334/4885HRH1 24/4885

“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.