SCHEMBL22968844

SCHEMBL22968844

CC(C)C(=O)C(N)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.46
EPHX1 P07099 2/20 0.41
DPP7 Q9UHL4 6/20 0.41
KCNH2 Q12809 1/20 0.40
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
FAP Q12884 1/20 0.39

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
SCHEMBL20877709 1.00 DPP4 (0.46) DPP4EPHX1DPP7KCNH2DPP8
SCHEMBL18401046 1.00 DPP4 (0.46) DPP4EPHX1DPP7KCNH2DPP8
SCHEMBL8013071 0.98 DPP4 (0.49) DPP4EPHX1DPP7KCNH2DPP8
SCHEMBL14886200 0.91 ALOX5 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL12937984 0.91 ALOX5 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL10140621 0.91 ALOX5 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL12282426 0.81 PIK3CD (0.36) DPP4
SCHEMBL12462754 0.81 PIK3CD (0.36) DPP4
SCHEMBL9252192 0.79 EPHX1 (0.38) EPHX1
SCHEMBL24063542 0.78 DPP4 (0.44) DPP4EPHX1DPP7KCNH2DPP8

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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 DPP4 1492/4885EPHX1 1220/4885DPP7 757/4885

“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.