SCHEMBL16787392

SCHEMBL16787392

Cc1cc(-n2nccn2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.40
GRIN1 Q05586 9/20 0.40
GRIN2B Q13224 9/20 0.40
KCNH2 Q12809 2/20 0.40
KAT6A Q92794 2/20 0.39
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
CYP3A4 P08684 4/20 0.36
NR3C1 P04150 1/20 0.35

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
SCHEMBL15889951 0.81 KMT2A (0.49) CYP3A4
SCHEMBL21999838 0.76 KAT6A (0.39) KAT6AHCRTR1HCRTR2CYP3A4
SCHEMBL29697310 0.76 KDM4E (0.50) CYP3A4
SCHEMBL30760728 0.76 MEN1 (0.34) KAT6A
SCHEMBL16787391 0.76 CYP19A1 (0.46) KCNH2HCRTR1HCRTR2CYP3A4
SCHEMBL24656149 0.76 RXRA (0.38) RXRAGRIN1GRIN2BKCNH2KAT6A
SCHEMBL8202120 0.74 NOTUM (0.53) RXRAGRIN1GRIN2BKCNH2KAT6A
SCHEMBL13737306 0.72 ESR1 (0.43) KAT6ACYP3A4
SCHEMBL22641636 0.72 KMT2A (0.53) CYP3A4
SCHEMBL13447946 0.72 MEN1 (0.35) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO 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-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
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 RXRA 531/4885GRIN1 316/4885GRIN2B 352/4885

“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.