SCHEMBL3607611

SCHEMBL3607611

CC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)N1CC(F)(F)C[C@H]1C#N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.38
FAP Q12884 6/20 0.35
PREP P48147 5/20 0.35
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
CTSK P43235 2/20 0.34
PITRM1 Q5JRX3 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3607610 0.84 DPP4 (0.41) DPP4FAPPREPDPP8DPP9
SCHEMBL3597277 0.84 DPP4 (0.46) DPP4PREPDPP8DPP9
SCHEMBL3597539 0.83 OPRM1 (0.36) HSD17B10
SCHEMBL5373165 0.74 DPP4 (0.40) DPP4FAPPREPDPP8DPP9
SCHEMBL23760630 0.74 DPP4 (0.52) DPP4FAPPREPDPP9CTSK
SCHEMBL21105037 0.74 DPP4 (0.52) DPP4FAPPREPDPP9CTSK
SCHEMBL22169492 0.74 DPP4 (0.52) DPP4FAPPREPDPP9CTSK
SCHEMBL21105170 0.73 DPP4 (0.50) DPP4FAPPREPDPP8DPP9
SCHEMBL17180405 0.73 DPP4 (0.50) DPP4FAPPREPDPP8DPP9
SCHEMBL17180404 0.73 DPP4 (0.50) DPP4FAPPREPDPP8DPP9

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-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 DPP4 256/4885FAP 1/4885PREP 81/4885

“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.