SCHEMBL5633486

SCHEMBL5633486

NCC1CCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A9 P48067 1/20 0.44
OPRM1 P35372 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL8477448 0.90 L3MBTL3 (0.46) DPP4L3MBTL3L3MBTL1SLC6A9OPRM1
SCHEMBL8473371 0.90 L3MBTL3 (0.56) DPP4L3MBTL3L3MBTL1OPRM1MEN1
SCHEMBL84788 0.86 OPRM1 (0.44) DPP4L3MBTL3L3MBTL1SLC6A9OPRM1
SCHEMBL8476569 0.84 DPP4 (0.53) DPP4L3MBTL3L3MBTL1SLC6A9OPRM1
Hydrochloric Acid SCHEMBL4159913 0.84 OPRM1 (0.43) DPP4L3MBTL3L3MBTL1SLC6A9OPRM1
SCHEMBL7392205 0.84 CYP2D6 (0.53) DPP4OPRM1CHRM4CYP2D6OPRL1
SCHEMBL5460089 0.84 CYP2D6 (0.53) DPP4OPRM1CHRM4CYP2D6OPRL1
SCHEMBL7386739 0.84 CYP2D6 (0.53) DPP4OPRM1CHRM4CYP2D6OPRL1
SCHEMBL13596969 0.83 DPP4 (0.55) DPP4L3MBTL3L3MBTL1SLC6A9OPRM1
SCHEMBL21075233 0.83 DPP4 (0.55) DPP4L3MBTL3L3MBTL1SLC6A9OPRM1

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 8 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 disclosed
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US disclosed
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US disclosed
CN-1816332-A 3-aminomethyl-pyrrolidines as N-type calcium channel blockers NEUROMED TECH INC (CA) 2006-08-09 CN disclosed
EP-1633343-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Technologies, Inc. (CA) 2006-03-15 EP disclosed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US disclosed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 WO disclosed
WO-2004105750-A1 3-AMINOMETHYL-PYRROLIDINES AS N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2004-12-09 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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I DPP4 1107/4885L3MBTL3 2078/4885L3MBTL1 1686/4885

“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.