SCHEMBL5633718

SCHEMBL5633718

CN(CC1CCN(C(c2ccccc2)c2ccccc2)C1)C(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 11/20 0.47
CACNB1 Q02641 11/20 0.47
CACNA1A O00555 2/20 0.47
CACNA1C Q13936 10/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1B Q00975 9/20 0.46
CACNA1H O95180 1/20 0.46
SLC6A9 P48067 1/20 0.45
TACR1 P25103 1/20 0.43
CCR5 P51681 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CACNA1G O43497 2/20 0.41
TPSAB1 Q15661 1/20 0.41

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
SCHEMBL14459925 0.85 CACNA2D1 (0.51) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL5635007 0.82 CACNA2D1 (0.45) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL14459927 0.81 CACNA2D1 (0.46) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL14459926 0.81 DPP4 (0.48) MEN1ALDH1A1POLBKMT2ASLC6A9
SCHEMBL4460130 0.81 CCR5 (0.58) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL4473810 0.81 CCR5 (0.58) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL4460125 0.81 CCR5 (0.58) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL5633504 0.81 SLC6A9 (0.43) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL14476477 0.80 SLC6A9 (0.42) CACNA2D1CACNB1CACNA1ACACNA1CMEN1
SCHEMBL5634347 0.78 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1ACACNA1CMEN1

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 12 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
CN-1816332-A 3-aminomethyl-pyrrolidines as N-type calcium channel blockers NEUROMED TECH INC (CA) 2006-08-09 CN 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
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
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

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 CACNA2D1 30/4885CACNB1 13/4885CACNA1A 19/4885

“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.