SCHEMBL6522916

SCHEMBL6522916

CC(C)[C@@H](C(=O)N1CCC(Oc2cnc(N3CCCCC3)nc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.37
ACACB O00763 12/20 0.37
GPR119 Q8TDV5 1/20 0.35
NAMPT P43490 1/20 0.35
DGAT2 Q96PD7 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
SCHEMBL6522050 0.86 LNPEP (0.37) LNPEPGPR119NAMPT
SCHEMBL6524554 0.85 ACACB (0.41) LNPEPACACBNAMPT
SCHEMBL6525322 0.85 P2RX3 (0.39) LNPEPNAMPT
SCHEMBL6522082 0.83 SRD5A1 (0.41) LNPEPGPR119NAMPT
SCHEMBL6522441 0.83 GPR119 (0.41) LNPEPACACBGPR119NAMPT
SCHEMBL6520375 0.82 LPL (0.44) LNPEPACACBGPR119NAMPT
SCHEMBL6525436 0.81 CHRM4 (0.41) ACACBGPR119NAMPT
SCHEMBL6524637 0.81 ACACB (0.39) LNPEPACACBGPR119NAMPT
Hydrochloric Acid SCHEMBL2774187 0.81 ACACB (0.40) LNPEPACACBGPR119
SCHEMBL6525325 0.80 LIPE (0.51) LNPEPACACBGPR119NAMPT

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 LNPEP 4680/4885ACACB 3542/4885GPR119 1336/4885

“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.