SCHEMBL6523862

SCHEMBL6523862

CCN(c1ccc(F)cc1)C1CCN(C(=O)[C@H](C(C)C)N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1B Q00975 5/20 0.41
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 2/20 0.36
CCR1 P32246 1/20 0.36
DPP9 Q86TI2 1/20 0.36
OPRD1 P41143 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
OPRM1 P35372 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
SCHEMBL2776855 0.82 DPP4 (0.45) MEN1KMT2ACACNA1BDPP4DPP7
Hydrochloric Acid SCHEMBL2774352 0.81 DPP4 (0.44) MEN1KMT2ACACNA1BDPP4DPP7
SCHEMBL6526892 0.79 HSD11B1 (0.52)
SCHEMBL6524790 0.78 NAMPT (0.44) KMT2AHRH3
SCHEMBL6521562 0.78 DPP4 (0.38) MEN1KMT2ADPP4DPP7DPP8
SCHEMBL6518854 0.78 NAMPT (0.44) KMT2AHRH3
SCHEMBL2777112 0.78 CCR1 (0.52) KMT2ACACNA1BCCR1HRH3
SCHEMBL6525446 0.78 HTR2A (0.42) KMT2ADPP4DPP7DPP8CCR1
SCHEMBL6522437 0.77 DPP4 (0.37) MEN1KMT2ADPP4DPP7DPP8
SCHEMBL6525292 0.77 PTGDR2 (0.40) DPP4DPP7CCR1DPP9HRH3

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 MEN1 1623/4885KMT2A 291/4885CACNA1B 1439/4885

“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.