SCHEMBL5633971

SCHEMBL5633971

CN(CCC(c1ccccc1)c1ccccc1)C(C1CCNC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.44
HTR2A P28223 2/20 0.43
HRH1 P35367 2/20 0.43
SLC6A2 P23975 17/20 0.41
SLC6A4 P31645 17/20 0.41
SLC6A3 Q01959 17/20 0.41
CYP2D6 P10635 2/20 0.38

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
SCHEMBL5634192 0.85 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5633725 0.77 CACNA2D1 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5634353 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5634479 0.74 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5686065 0.71 SOS1 (0.43) SOS1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5633511 0.70 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7382308 0.70 SLC6A4 (0.41) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL5635010 0.69 OPRD1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL5633551 0.68 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5633162 0.68 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6

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 SOS1 4283/4885HTR2A 455/4885HRH1 399/4885

“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.