SCHEMBL16544565

SCHEMBL16544565

F[C@@H]1CCC[C@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.45
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ AGER Q15109 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ G6PC1 P35575 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ YTHDC1 Q96MU7 1/20 0.36

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
SCHEMBL12468905 1.00 SLC18A3 (0.45) SLC18A3SLC6A2SLC6A4AGERMTNR1A
SCHEMBL14943954 0.95 SLC18A3 (0.47) SLC18A3SLC6A2SLC6A4AGERMTNR1A
SCHEMBL14873965 0.79 SLC18A3 (0.66) SLC18A3SLC6A2SLC6A4AGERMTNR1A
SCHEMBL15610809 0.79 SLC18A3 (0.66) SLC18A3SLC6A2SLC6A4AGERMTNR1A
SCHEMBL15610808 0.79 SLC18A3 (0.66) SLC18A3SLC6A2SLC6A4AGERMTNR1A
SCHEMBL12685154 0.79 SLC18A3 (0.66) SLC18A3SLC6A2SLC6A4AGERMTNR1A
SCHEMBL13017781 0.77 SLC6A2 (0.53) SLC18A3SLC6A2SLC6A4AGERG6PC1
SCHEMBL26879524 0.76 SLC18A3 (0.50) SLC18A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL25418952 0.76 SLC18A3 (0.58) SLC18A3SLC6A2SLC6A4AGEROPRM1
SCHEMBL18555802 0.76 SLC18A3 (0.43) SLC18A3SLC6A2SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC18A3 1294/4885SLC6A2 365/4885SLC6A4 577/4885

“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.

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