SCHEMBL5633709

SCHEMBL5633709

O=C(CC(c1ccccc1)c1ccccc1)NCC1CCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
CACNA2D1 P54289 3/20 0.49
CACNB1 Q02641 3/20 0.49
CACNA1C Q13936 2/20 0.49
CACNA1A O00555 2/20 0.49
BCHE P06276 3/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1B Q00975 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
SLC6A9 P48067 1/20 0.44

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
SCHEMBL5634371 0.93 CACNA2D1 (0.54) CYP3A4CYP2D6CYP2C9PKMHPGD
SCHEMBL5634872 0.93 CACNA2D1 (0.54) CYP3A4CYP2D6CYP2C9PKMHPGD
SCHEMBL5634382 0.93 CACNA2D1 (0.54) CYP3A4CYP2D6CYP2C9PKMHPGD
SCHEMBL5634736 0.90 CACNA2D1 (0.56) CYP3A4CYP2D6CYP2C9PKMHPGD
SCHEMBL5634401 0.90 CACNA2D1 (0.56) CYP3A4CYP2D6CYP2C9PKMHPGD
SCHEMBL5633428 0.89 CACNA2D1 (0.55) CYP3A4CYP2D6CYP2C9PKMHPGD
SCHEMBL5634993 0.86 KCNH2 (0.53) CACNA2D1CACNB1CACNA1CCACNA1ABCHE
SCHEMBL5634490 0.83 CACNA2D1 (0.52) CACNA2D1CACNB1CACNA1CCACNA1BMEN1
SCHEMBL5633417 0.81 PTGIR (0.55) CACNA2D1CACNB1CACNA1CCACNA1BMEN1
SCHEMBL8298777 0.79 CKS1B (0.51) PKM

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 9 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
CN-1816332-A 3-aminomethyl-pyrrolidines as N-type calcium channel blockers NEUROMED TECH INC (CA) 2006-08-09 CN claimed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US 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 CYP3A4 2190/4885CYP2D6 3363/4885CYP2C9 3218/4885

“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.