SCHEMBL14940506

SCHEMBL14940506

c1cc(CC2COCCN2)cc(-n2nccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.49
HCRTR2 O43614 20/20 0.49
CYP3A4 P08684 13/20 0.49

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
SCHEMBL30760730 1.00 HCRTR1 (0.49) HCRTR1HCRTR2CYP3A4
SCHEMBL16766890 1.00 HCRTR1 (0.49) HCRTR1HCRTR2CYP3A4
SCHEMBL14940503 1.00 HCRTR1 (0.49) HCRTR1HCRTR2CYP3A4
SCHEMBL16767114 0.84 HCRTR1 (0.49) HCRTR1HCRTR2CYP3A4
SCHEMBL16767113 0.84 HCRTR1 (0.49) HCRTR1HCRTR2CYP3A4
SCHEMBL16766769 0.82 HCRTR1 (0.41) HCRTR1HCRTR2CYP3A4
SCHEMBL16766770 0.82 HCRTR1 (0.41) HCRTR1HCRTR2CYP3A4
SCHEMBL17580405 0.81 HCRTR1 (0.48) HCRTR1HCRTR2CYP3A4
SCHEMBL17580406 0.81 HCRTR1 (0.48) HCRTR1HCRTR2CYP3A4
SCHEMBL17580094 0.81 HCRTR1 (0.48) HCRTR1HCRTR2CYP3A4

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
US-11124488-B2 Preparation of 2-([1,2,3]triazol-2-yl)-benzoic acid derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-09-21 US disclosed
EP-3619199-B1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210114997-A1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
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 (3 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 HCRTR1 2/4885HCRTR2 1/4885CYP3A4 1336/4885
US-11124488-B2 Preparation of 2-([1,2,3]triazol-2-yl)-benzoic acid derivatives KCNK5, KCNJ2, KCNK2 HCRTR1 4534/4885HCRTR2 3339/4885CYP3A4 295/4885
US-20210114997-A1 PREPARATION OF 2-([1,2,3]TRIAZOL-2-YL)-BENZOIC ACID DERIVATIVES KCNK5, KCNJ2, KCNK2 HCRTR1 4534/4885HCRTR2 3339/4885CYP3A4 295/4885

“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.