SCHEMBL2373508

SCHEMBL2373508

O=C([C@H](Cc1ccccc1)NCc1ccc(-c2ccccn2)cc1)N1CCC(CN2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.47
DPP4 P27487 2/20 0.43
EPHX1 P07099 1/20 0.42
CYP2D6 P10635 1/20 0.42
EPHX2 P34913 1/20 0.42
F2 P00734 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
METAP1 P53582 1/20 0.41
DPP7 Q9UHL4 3/20 0.41
DAGLB Q8NCG7 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2373519 1.00 KDM2B (0.47) KDM2BDPP4EPHX1CYP2D6EPHX2
SCHEMBL2376370 0.89 POLB (0.51) DPP4EPHX1CYP2D6EPHX2METAP1
SCHEMBL2376376 0.89 POLB (0.51) DPP4EPHX1CYP2D6EPHX2METAP1
SCHEMBL2376236 0.87 TACR1 (0.45) DPP4EPHX1CYP2D6EPHX2F2
SCHEMBL2376445 0.85 DPP4 (0.46) DPP4EPHX1CYP2D6EPHX2METAP1
SCHEMBL2376451 0.85 DPP4 (0.46) DPP4EPHX1CYP2D6EPHX2METAP1
SCHEMBL2374722 0.84 DPP4 (0.46) DPP4EPHX1CYP2D6EPHX2HRH3
SCHEMBL2374734 0.84 DPP4 (0.46) DPP4EPHX1CYP2D6EPHX2HRH3
SCHEMBL12139027 0.83 ALDH1A1 (0.47) DPP4EPHX1CYP2D6EPHX2METAP1
SCHEMBL2376240 0.82 DPP4 (0.47) DPP4EPHX1CYP2D6EPHX2F2

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 KDM2B 2049/4885DPP4 754/4885EPHX1 1866/4885

“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.