SCHEMBL6521945

SCHEMBL6521945

CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
NAMPT P43490 5/20 0.43
LIPE Q05469 7/20 0.41
GPR119 Q8TDV5 4/20 0.40
MMP1 P03956 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL6525990 0.87 NAMPT (0.46) HRH3NAMPTLIPEGPR119MMP1
SCHEMBL6521594 0.86 NAMPT (0.47) HRH3NAMPTLIPEGPR119
SCHEMBL6523469 0.86 MMP1 (0.49) HRH3NAMPTLIPEGPR119MMP1
SCHEMBL6520058 0.85 LIPE (0.57) HRH3NAMPTLIPE
SCHEMBL6520332 0.84 DPP4 (0.43) HRH3NAMPTLIPEGPR119
Hydrochloric Acid SCHEMBL2774851 0.83 HRH3 (0.48) HRH3NAMPTLIPEGPR119MMP1
SCHEMBL6523919 0.82 EPHX2 (0.48) HRH3NAMPTLIPEGPR119LMNA
SCHEMBL6522470 0.82 GPR119 (0.41) HRH3NAMPTLIPEGPR119
SCHEMBL6525436 0.81 CHRM4 (0.41) NAMPTLIPEGPR119
SCHEMBL2774923 0.80 HRH3 (0.46) HRH3NAMPTLIPEGPR119MMP1

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 HRH3 14/4885NAMPT 1696/4885LIPE 4566/4885

“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.