SCHEMBL5633239

SCHEMBL5633239

Oc1c(Br)cc(CNC(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C2CCNC2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.42
VPS4B O75351 1/20 0.34
VCP P55072 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CYP2D6 P10635 2/20 0.32
FAAH O00519 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TBXA2R P21731 1/20 0.32

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 0.87 KCNH2 (0.57) KCNH2
SCHEMBL5633741 0.83 KCNH2 (0.54) KCNH2VPS4BVCPSLC6A2SLC6A4
SCHEMBL5635450 0.81 KCNH2 (0.55) KCNH2SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL5633530 0.79 KCNH2 (0.54) KCNH2
SCHEMBL5633523 0.75 KCNH2 (0.39) KCNH2CYP2D6FAAHCYP3A4TSHR
SCHEMBL5633233 0.70 KCNH2 (0.76) KCNH2SLC6A3CYP2D6FAAHCYP3A4
SCHEMBL5633173 0.70 KCNH2 (0.55) KCNH2SLC6A4SLC6A3
SCHEMBL5634679 0.69 KCNH2 (0.53) KCNH2SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL5634424 0.68 KCNH2 (0.57) KCNH2MAPK1
SCHEMBL5024699 0.67 KCNH2 (0.72) KCNH2SLC6A2SLC6A4SLC6A3CYP2D6

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.