SCHEMBL16624045

SCHEMBL16624045

CC(C)(C)OC(=O)N1CCc2cc(OCC(F)(F)F)ccc2C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.63
NR1H2 P55055 1/20 0.56
ABHD6 Q9BV23 6/20 0.54
ESR1 P03372 2/20 0.53
LIPE Q05469 1/20 0.48
SCN9A Q15858 4/20 0.45
MGLL Q99685 3/20 0.45
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
MAPK1 P28482 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
SCHEMBL3875381 0.91 ABHD6 (0.53) ESR2NR1H2ABHD6ESR1LIPE
SCHEMBL14781510 0.87 ESR2 (0.67) ESR2NR1H2ABHD6ESR1MGLL
SCHEMBL25317295 0.84 ESR2 (0.63) ESR2NR1H2ABHD6ESR1MGLL
SCHEMBL21659712 0.84 ESR2 (0.63) ESR2NR1H2ABHD6ESR1SCN9A
SCHEMBL31425341 0.84 ESR2 (0.63) ESR2NR1H2ABHD6ESR1MGLL
SCHEMBL22755687 0.83 ESR2 (0.62) ESR2NR1H2ABHD6ESR1MGLL
SCHEMBL31014031 0.83 ESR2 (0.62) ESR2NR1H2ABHD6ESR1MGLL
SCHEMBL13538188 0.83 ESR2 (0.62) ESR2NR1H2ABHD6ESR1MGLL
SCHEMBL15755296 0.83 ESR2 (0.72) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL29368645 0.83 ESR2 (0.72) ESR2NR1H2ABHD6ESR1MAPT

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 ESR2 3752/4885NR1H2 2325/4885ABHD6 4475/4885

“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.