SCHEMBL14940370

SCHEMBL14940370

N[C@@H](CO)Cc1cc(Br)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.50
DPP8 Q6V1X1 5/20 0.36
DGAT1 O75907 1/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP9 Q86TI2 3/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
LTA4H P09960 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL14940371 1.00 DPP4 (0.50) DPP4DPP8DGAT1DPP7DPP9
SCHEMBL5225298 0.82 DPP4 (0.53) DPP4DPP8DPP7DPP9
SCHEMBL5225297 0.82 DPP4 (0.53) DPP4DPP8DPP7DPP9
SCHEMBL15526439 0.79 DPP4 (0.43) DPP4DGAT1DPP7DPP9BRD4
SCHEMBL16075221 0.77 DPP4 (0.48) DPP4DPP8DGAT1DPP7DPP9
SCHEMBL31537473 0.77 ALOX15 (0.51) DPP4DGAT1
SCHEMBL30682755 0.76 DPP4 (0.49) DPP4DPP8DGAT1DPP7DPP9
SCHEMBL26931423 0.76 DPP4 (0.49) DPP4DPP8DGAT1DPP7DPP9
SCHEMBL135165 0.75 PTGDR2 (0.49) DPP4DGAT1BRD4BRD2BRD3
SCHEMBL7955916 0.74 DPP4 (0.47) DPP4DPP8DPP7DPP9KCNH2

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-2776430-B1 2- (1,2,3-TRIAZOL-2-YL) BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL) PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-16 EP disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 US disclosed
EP-2776430-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-09-17 EP disclosed
WO-2013068935-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R DPP4 2791/4885DPP8 2319/4885DGAT1 3860/4885

“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.