SCHEMBL4550697

SCHEMBL4550697

N[C@@H](CC(=O)N1CCc2cnc(C(F)(F)F)nc2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
DPP8 Q6V1X1 11/20 0.61
DPP7 Q9UHL4 7/20 0.61
DPP9 Q86TI2 6/20 0.55
ACE P12821 1/20 0.55
HTR2A P28223 1/20 0.55
FAP Q12884 1/20 0.55
CYP3A4 P08684 1/20 0.51

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
SCHEMBL4550698 1.00 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL4399414 0.99 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL8345171 0.90 DPP4 (0.66) DPP4DPP8DPP7DPP9
SCHEMBL4387254 0.86 DPP4 (0.56) DPP4DPP8DPP7DPP9
SCHEMBL4392074 0.82 DPP4 (0.44) DPP4DPP8DPP7DPP9ACE
SCHEMBL4400632 0.77 DPP4 (0.60) DPP4DPP8DPP7DPP9
SCHEMBL5228197 0.76 DPP4 (1.00) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL4399397 0.76 DPP4 (0.59) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL1842316 0.76 DPP4 (0.98) DPP4DPP8DPP7DPP9ACE
SCHEMBL16161427 0.75 DPP4 (0.72) DPP4DPP8DPP7DPP9ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2004007468-A1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-01-22 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 (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-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment 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.