SCHEMBL6522508

SCHEMBL6522508

CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2OCc2ccccc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4B Q07343 2/20 0.38
PARP1 P09874 1/20 0.38
ACACB O00763 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
SLC6A4 P31645 1/20 0.37
GHSR Q92847 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
GPR6 P46095 5/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
RBP4 P02753 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL6523618 0.87 PDE4B (0.42) PDE4BGPR6PDE4APDE4CPDE4D
SCHEMBL6524778 0.85 GPR6 (0.46) GPR6
SCHEMBL6524594 0.84 HRH1 (0.46) GPR6HRH1CCR3RBP4
SCHEMBL6523336 0.84 GPR6 (0.38) PDE4BGPR6HRH1CCR3RBP4
SCHEMBL6520938 0.83 GPR6 (0.38) PDE4BGPR6HRH1CCR3RBP4
SCHEMBL6523908 0.81 TBK1 (0.41) GPR6HRH1CCR3
SCHEMBL2777958 0.81 CCR1 (0.47) HTR2CHTR2BPARP1ACACB
SCHEMBL6518469 0.81 PTGDR (0.43) PDE4BGPR6HRH1CCR3RBP4
SCHEMBL6521585 0.80 GPR6 (0.36) GPR6
SCHEMBL6518854 0.79 NAMPT (0.44)

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 HTR2C 1017/4885HTR2B 812/4885PDE4B 3268/4885

“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.