SCHEMBL5633428

SCHEMBL5633428

O=C(CC(c1ccccc1)c1ccccc1)NCC1CCN(C(c2ccccc2)c2ccccc2Cl)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.55
CACNA1B Q00975 6/20 0.55
CACNB1 Q02641 6/20 0.55
CACNA1G O43497 3/20 0.55
CNR1 P21554 2/20 0.51
CACNA1C Q13936 2/20 0.47
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4D Q6B0I6 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL5633709 0.89 CYP3A4 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CHPGD
SCHEMBL5634371 0.87 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1GCNR1
SCHEMBL5634401 0.84 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5634382 0.83 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CHPGD
SCHEMBL5634872 0.83 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CHPGD
SCHEMBL5634736 0.80 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CHPGD
SCHEMBL4475771 0.77 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL4477780 0.77 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL4475768 0.77 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5634993 0.77 KCNH2 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CBCHE

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 4 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

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 30/4885CACNA1B 1/4885CACNB1 13/4885

“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.