SCHEMBL16640290

SCHEMBL16640290

NC(C(=O)O)C1CCCCCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.57
EPHX1 P07099 1/20 0.50
GRM2 Q14416 1/20 0.50
DPP7 Q9UHL4 5/20 0.47
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
FAP Q12884 1/20 0.44

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
SCHEMBL10073272 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
Cyclohexylglycyl SCHEMBL156537 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
SCHEMBL7868412 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
Cyclohexylglycyl SCHEMBL122348 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
SCHEMBL21977981 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
SCHEMBL24316913 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
SCHEMBL21969684 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
SCHEMBL21981265 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
SCHEMBL20819999 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2
SCHEMBL3578175 1.00 DPP4 (0.57) DPP4EPHX1GRM2DPP7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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 (3 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A DPP4 817/4885EPHX1 1515/4885GRM2 850/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A DPP4 817/4885EPHX1 1515/4885GRM2 850/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A DPP4 817/4885EPHX1 1515/4885GRM2 850/4885

“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.