SCHEMBL2385502

SCHEMBL2385502

O=C(C[C@H](Cc1cc(F)c(F)cc1F)NC(=O)C(F)(F)F)N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76
DPP8 Q6V1X1 8/20 0.72
DPP9 Q86TI2 2/20 0.72
DPP7 Q9UHL4 2/20 0.72
ACE P12821 1/20 0.72
HTR2A P28223 1/20 0.72
FAP Q12884 1/20 0.72

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
SCHEMBL2384182 1.00 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
SCHEMBL15282250 1.00 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
SCHEMBL2783499 0.93 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL4105920 0.93 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL30535992 0.93 DPP4 (0.78) DPP4DPP8DPP9DPP7ACE
SCHEMBL15604142 0.91 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
SCHEMBL12285933 0.90 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE
SCHEMBL572713 0.89 DPP4 (0.79) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL2553853 0.89 DPP4 (0.79) DPP4DPP8DPP9DPP7ACE
SCHEMBL4736463 0.89 DPP4 (0.75) DPP4DPP8DPP9DPP7ACE

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-8476437-B2 Process for preparation of (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro [1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl]-l-(2,4,5-trifluorophenyl)butan-2-amine and new impurities in preparation thereof CADILA HEALTHCARE LIMITED (IN) 2013-07-02 US disclosed
US-20110213149-A1 PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-09-01 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-20110213149-A1 PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF BPNT1, GART, SLC7A1 DPP4 1094/4885DPP8 1642/4885DPP9 794/4885

“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.