SCHEMBL5633741

SCHEMBL5633741

CC(C)(C)c1cc(CNC(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C2CCNC2)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.54
VPS4B O75351 1/20 0.34
VCP P55072 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL5634954 0.89 KCNH2 (0.57) KCNH2
SCHEMBL5633530 0.86 KCNH2 (0.54) KCNH2
SCHEMBL5635450 0.83 KCNH2 (0.55) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5633239 0.83 KCNH2 (0.42) KCNH2VPS4BVCPSLC6A2SLC6A4
SCHEMBL5634040 0.74 KCNH2 (0.55) KCNH2
SCHEMBL5634472 0.74 KCNH2 (0.54) KCNH2
SCHEMBL5633173 0.74 KCNH2 (0.55) KCNH2SLC6A4SLC6A3
SCHEMBL5633517 0.72 KCNH2 (0.58) KCNH2
SCHEMBL5634679 0.70 KCNH2 (0.53) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5633732 0.70 KCNH2 (1.00) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US claimed
JP-2006526000-A 2006-11-16 JP claimed
EP-1633343-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Technologies, Inc. (CA) 2006-03-15 EP claimed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US claimed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 WO claimed

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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I KCNH2 33/4885VPS4B 2248/4885VCP 1509/4885

“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.