SCHEMBL16624103

SCHEMBL16624103

CC(C)N1CCc2[nH]c3cc(F)ccc3c2C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.51
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNA7 P36544 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MCHR1 Q99705 1/20 0.43
ADRA1A P35348 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR6 P50406 1/20 0.42
CTSK P43235 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
SCHEMBL17993837 0.89 ADRA1A (0.45) BAZ2BMCHR1ADRA1AMEN1KMT2A
SCHEMBL2185371 0.84 CHRNA7 (0.64) BAZ2BACHEALDH1A1GAAL3MBTL1
SCHEMBL13194931 0.79 CHRNA7 (0.69) BAZ2BACHEALDH1A1GAATHRB
SCHEMBL16854929 0.78 L3MBTL1 (0.44) BAZ2BACHEALDH1A1GAATHRB
SCHEMBL16624301 0.77 BAZ2B (0.54) BAZ2BACHESIGMAR1ADRA1A
SCHEMBL28661381 0.77 BAZ2B (0.64) BAZ2BACHEALDH1A1GAAMEN1
SCHEMBL2186665 0.75 L3MBTL1 (0.70) BAZ2BACHEALDH1A1GAAL3MBTL1
SCHEMBL16624341 0.75 KDM4E (0.64) BAZ2BL3MBTL1CHRNA7ADRA1AMEN1
SCHEMBL29293499 0.75 BAZ2B (0.44) BAZ2BACHEALDH1A1L3MBTL1SIGMAR1
SCHEMBL21153982 0.74 BAZ2B (0.43) BAZ2BACHEALDH1A1GAAL3MBTL1

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 BAZ2B 3141/4885ACHE 2037/4885ALDH1A1 2383/4885

“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.