SCHEMBL2376558

SCHEMBL2376558

CN(C)C1CCN(C(=O)[C@H](Cc2ccccc2)NCc2ccc(-c3ccccn3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
DPP7 Q9UHL4 1/20 0.46
HRH3 Q9Y5N1 5/20 0.46
EPHX1 P07099 1/20 0.42
CYP2D6 P10635 1/20 0.42
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 1/20 0.41
UGCG Q16739 1/20 0.41
METAP1 P53582 1/20 0.41
ATR Q13535 2/20 0.40
MCHR1 Q99705 3/20 0.40
ADAM17 P78536 2/20 0.39
KCNH2 Q12809 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL2376561 1.00 DPP4 (0.46) DPP4DPP7HRH3EPHX1CYP2D6
SCHEMBL2374117 1.00 DPP4 (0.46) DPP4DPP7HRH3EPHX1CYP2D6
SCHEMBL2374122 1.00 DPP4 (0.46) DPP4DPP7HRH3EPHX1CYP2D6
SCHEMBL2374119 1.00 DPP4 (0.46) DPP4DPP7HRH3EPHX1CYP2D6
SCHEMBL2374734 0.95 DPP4 (0.46) DPP4DPP7HRH3EPHX1CYP2D6
SCHEMBL2374722 0.95 DPP4 (0.46) DPP4DPP7HRH3EPHX1CYP2D6
SCHEMBL2376236 0.87 TACR1 (0.45) DPP4DPP7EPHX1CYP2D6EPHX2
SCHEMBL2376445 0.84 DPP4 (0.46) DPP4DPP7EPHX1CYP2D6EPHX2
SCHEMBL2376451 0.84 DPP4 (0.46) DPP4DPP7EPHX1CYP2D6EPHX2
SCHEMBL2376376 0.84 POLB (0.51) DPP4DPP7EPHX1CYP2D6EPHX2

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 DPP4 754/4885DPP7 678/4885HRH3 302/4885

“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.