SCHEMBL5645375

SCHEMBL5645375

O=C(O)N1CCc2[nH]nc(C(F)(F)C(F)(F)F)c2C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
DPP9 Q86TI2 1/20 0.41
MAPK1 P28482 1/20 0.41
CREBBP Q92793 10/20 0.40
EP300 Q09472 9/20 0.40
BRD4 O60885 3/20 0.40
SPR P35270 1/20 0.36
CFTR P13569 2/20 0.35

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
SCHEMBL1006514 0.89 DPP4 (0.50) DPP4DPP8DPP7DPP9MAPK1
SCHEMBL17868650 0.82 CREBBP (0.43) DPP4DPP8DPP7DPP9MAPK1
SCHEMBL20818349 0.78 CREBBP (0.44) MAPK1CREBBPEP300BRD4
SCHEMBL5644483 0.77 DPP4 (0.50) DPP4DPP8DPP7DPP9
SCHEMBL14970423 0.76 MAPK1 (0.56) DPP4DPP8DPP7DPP9MAPK1
SCHEMBL23881432 0.75 DPP4 (0.40) DPP4DPP8DPP7DPP9SPR
SCHEMBL5953472 0.75 HCAR2 (0.56) MAPK1CREBBPEP300BRD4
SCHEMBL17785675 0.75 CREBBP (0.47) MAPK1CREBBPEP300BRD4
SCHEMBL4761723 0.75 CREBBP (0.47) MAPK1CREBBPEP300BRD4
SCHEMBL17785865 0.75 CREBBP (0.44) MAPK1CREBBPEP300BRD4

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-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.