SCHEMBL16422374

SCHEMBL16422374

N#CC1(c2ccc(F)cc2)CC(N)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
DPP4 P27487 2/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD11B1 P28845 1/20 0.34
KDM1A O60341 3/20 0.34
SLC6A3 Q01959 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
SCHEMBL16422373 1.00 MAOB (0.50) MAOBMAOADPP4ALDH1A1CYP2D6
SCHEMBL1557855 0.81 MAOB (0.41) MAOBMAOAALDH1A1CYP2D6HSD11B1
SCHEMBL17985304 0.81 MAOB (0.41) MAOBMAOAALDH1A1CYP2D6HSD11B1
SCHEMBL16591486 0.81 CCR2 (0.42) MAOBMAOAALDH1A1CYP2D6HSD11B1
SCHEMBL4201312 0.78 OPRM1 (0.46) ALDH1A1CYP2D6HSD11B1
SCHEMBL19262093 0.77 CCR2 (0.39) MAOBMAOAALDH1A1CYP2D6HSD11B1
SCHEMBL1558872 0.75 MAOB (0.36) MAOBMAOAALDH1A1CYP2D6HSD11B1
SCHEMBL1019298 0.75 ALDH1A1 (0.49) ALDH1A1SLC6A3
SCHEMBL623955 0.75 ALDH1A1 (0.46) ALDH1A1CYP2D6HSD11B1SLC6A3
SCHEMBL19212422 0.73 MAOB (0.39) MAOBMAOAALDH1A1CYP2D6HSD11B1

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 MAOB 2922/4885MAOA 3398/4885DPP4 3320/4885

“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.