SCHEMBL1006514

SCHEMBL1006514

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
DPP8 Q6V1X1 3/20 0.50
DPP7 Q9UHL4 3/20 0.50
DPP9 Q86TI2 2/20 0.50
SPR P35270 1/20 0.43
CREBBP Q92793 8/20 0.42
EP300 Q09472 7/20 0.42
BRD4 O60885 3/20 0.42
MAPK1 P28482 1/20 0.42
CFTR P13569 2/20 0.38
RBP4 P02753 2/20 0.38

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
SCHEMBL5645375 0.89 DPP4 (0.52) DPP4DPP8DPP7DPP9SPR
SCHEMBL5644483 0.88 DPP4 (0.50) DPP4DPP8DPP7DPP9RBP4
SCHEMBL14970423 0.87 MAPK1 (0.56) DPP4DPP8DPP7DPP9SPR
SCHEMBL23881432 0.86 DPP4 (0.40) DPP4DPP8DPP7DPP9SPR
SCHEMBL17868650 0.84 CREBBP (0.43) DPP4DPP8DPP7DPP9CREBBP
SCHEMBL16219036 0.83 DPP4 (0.52) DPP4DPP8DPP7DPP9SPR
SCHEMBL1009435 0.81 DPP4 (0.46) DPP4DPP8DPP7DPP9SPR
SCHEMBL20818349 0.80 CREBBP (0.44) CREBBPEP300BRD4MAPK1
SCHEMBL17785675 0.77 CREBBP (0.47) CREBBPEP300BRD4MAPK1
SCHEMBL5953472 0.77 HCAR2 (0.56) CREBBPEP300BRD4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-1589969-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-08-13 EP disclosed
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
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 WO 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 (2 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
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 DPP4 4270/4885DPP8 3789/4885DPP7 4317/4885

“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.