SCHEMBL16766908

SCHEMBL16766908

Cc1ccc(-n2cccn2)cc1C[C@@H]1COCC(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.47
HCRTR2 O43614 10/20 0.47
CYP3A4 P08684 10/20 0.47
CHRM1 P11229 7/20 0.40
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16766909 1.00 HCRTR1 (0.47) HCRTR1HCRTR2CYP3A4CHRM1MAPT
SCHEMBL17580154 0.85 HCRTR1 (0.46) HCRTR1HCRTR2CYP3A4
SCHEMBL17580156 0.85 HCRTR1 (0.46) HCRTR1HCRTR2CYP3A4
SCHEMBL16767567 0.82 HCRTR1 (0.46) HCRTR1HCRTR2CYP3A4
SCHEMBL16767565 0.82 HCRTR1 (0.46) HCRTR1HCRTR2CYP3A4
SCHEMBL14940433 0.81 HCRTR1 (0.51) HCRTR1HCRTR2CYP3A4CHRM1
SCHEMBL14940431 0.81 HCRTR1 (0.51) HCRTR1HCRTR2CYP3A4CHRM1
SCHEMBL27965586 0.80 HCRTR1 (0.48) HCRTR1HCRTR2CYP3A4CHRM1MEN1
SCHEMBL27965585 0.80 HCRTR1 (0.48) HCRTR1HCRTR2CYP3A4CHRM1MEN1
SCHEMBL16767251 0.73 HCRTR1 (0.50) HCRTR1HCRTR2CYP3A4MAPTMEN1

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 3 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

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 HCRTR1 2/4885HCRTR2 1/4885CYP3A4 1336/4885

“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.