SCHEMBL16624042

SCHEMBL16624042

FC(F)Oc1ccc2c(c1)CCNC2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PNMT P11086 4/20 0.44
CD44 P16070 1/20 0.44
MAOB P27338 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CD274 Q9NZQ7 1/20 0.41

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
Hydrochloric Acid SCHEMBL17965627 0.98 ASIC3 (0.49) ASIC3DRD2DRD3HRH3PNMT
SCHEMBL21753264 0.90 ADRA2A (0.51) DRD2HRH3CHRNB2CHRNA7CHRNA4
SCHEMBL8263140 0.86 CHRNB2 (0.47) DRD2HRH3CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL31084083 0.84 CHRNB2 (0.46) DRD2HRH3CHRNB2CHRNA7CHRNA4
SCHEMBL17583864 0.83 ASIC3 (0.50) ASIC3DRD2DRD3HRH3PNMT
SCHEMBL7979150 0.80 ASIC3 (0.50) ASIC3DRD2DRD3HRH3PNMT
SCHEMBL17585077 0.80 HRH3 (0.53) ASIC3DRD2DRD3HRH3PNMT
Hydrochloric Acid SCHEMBL7643355 0.79 ASIC3 (0.49) ASIC3DRD2DRD3HRH3PNMT
SCHEMBL8467911 0.77 CD274 (0.59) ASIC3DRD2DRD3HRH3PNMT
SCHEMBL532484 0.77 CD274 (0.59) ASIC3DRD2DRD3HRH3PNMT

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
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H ASIC3 157/4885DRD2 935/4885DRD3 402/4885

“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.