SCHEMBL1933947

SCHEMBL1933947

N[C@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)C(OP(=O)(O)O)c1cc(F)c(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.65
▸ DPP8 Q6V1X1 11/20 0.65
▸ DPP9 Q86TI2 3/20 0.65
▸ DPP7 Q9UHL4 2/20 0.61
▸ ACE P12821 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ FAP Q12884 1/20 0.61

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
SCHEMBL1935163 1.00 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
Water SCHEMBL20266564 0.99 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
Water SCHEMBL1136086 0.99 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL16227078 0.93 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL14128341 0.93 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL13730075 0.87 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL15477372 0.87 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
Phosphoric Acid SCHEMBL16227292 0.87 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL15477556 0.81 DPP4 (0.61) DPP4DPP8DPP9DPP7ACE
SCHEMBL13729423 0.81 DPP4 (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331545-B1 IMPROVED 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 LTD (IN) 2013-10-02 — — EP disclosed
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
EP-2331545-A2 IMPROVED 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) 2011-06-15 — — EP disclosed
WO-2010032264-A2 IMPROVED 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) 2010-03-25 — — 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-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.

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