SCHEMBL1860871

SCHEMBL1860871

CNCC(CC1CCCCC1)NC(=O)N1CCCCC1C#N

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.52
DPP7 Q9UHL4 3/20 0.42
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.41
REN P00797 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
SCHEMBL1860867 1.00 DPP4 (0.52) DPP4DPP7DPP8DPP9REN
SCHEMBL5503748 0.86 DPP4 (0.39) DPP4DPP7DPP8DPP9
SCHEMBL5505794 0.80 REN (0.52) REN
SCHEMBL1866281 0.80 REN (0.52) REN
SCHEMBL5503829 0.80 REN (0.52) REN
SCHEMBL5509831 0.80 REN (0.52) REN
SCHEMBL1865703 0.80 REN (0.52) REN
SCHEMBL14987883 0.76 CTSS (0.55) REN
SCHEMBL3602438 0.76 CTSS (0.55) REN
SCHEMBL5509283 0.73 REN (0.47) REN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE DPP4 14/4885DPP7 5/4885DPP8 16/4885

“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.