SCHEMBL16422271

SCHEMBL16422271

O=C(O)N1CC(Oc2ccc(F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.50
EPHX2 P34913 5/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
RIPK1 Q13546 1/20 0.44
LIPC P11150 1/20 0.43
ADRB2 P07550 1/20 0.43
FAAH O00519 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL15640987 0.87 GRIN2B (0.56) LIPGEPHX2GRIN1GRIN2B
SCHEMBL28382894 0.87 GRIN2B (0.56) LIPGEPHX2GRIN1GRIN2B
SCHEMBL16242439 0.87 GRIN2B (0.56) LIPGEPHX2GRIN1GRIN2B
SCHEMBL15640988 0.87 GRIN2B (0.56) LIPGEPHX2GRIN1GRIN2B
SCHEMBL9597256 0.85 GRIN1 (0.47) LIPGEPHX2GRIN1GRIN2BADRB2
SCHEMBL9596793 0.85 LIPG (0.46) LIPGEPHX2GRIN1GRIN2BADRB2
SCHEMBL15640992 0.84 GRIN1 (0.53) LIPGGRIN1GRIN2BFAAH
SCHEMBL15640991 0.84 GRIN1 (0.53) LIPGGRIN1GRIN2BFAAH
SCHEMBL27900122 0.83 ADRB2 (0.53) LIPGEPHX2LIPCADRB2FAAH
SCHEMBL20168877 0.83 RIPK1 (0.47) LIPGEPHX2GRIN1GRIN2BRIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP 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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G LIPG 4850/4885EPHX2 4038/4885GRIN1 172/4885

“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.