SCHEMBL5080780

SCHEMBL5080780

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CCOc2c(F)c(F)cc(F)c2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 13/20 0.49
CACNA1B Q00975 13/20 0.49
CACNB1 Q02641 13/20 0.49
CACNA1C Q13936 9/20 0.49
CACNA1H O95180 1/20 0.49
CACNA1G O43497 2/20 0.44
CACNA1A O00555 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
SCHEMBL3866660 0.83 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3871235 0.82 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3890903 0.78 CACNA2D1 (0.64) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3864509 0.77 DRD3 (0.68) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL5026257 0.76 KCNA5 (0.59) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL5080776 0.76 ALOX5 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3869733 0.75 DRD3 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3888036 0.74 DRD3 (0.60)
SCHEMBL26330969 0.74 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3889041 0.72 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H

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-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US claimed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 US claimed
US-20080300262-A1 Combination Therapy for Relief of Pain ZALICUS PHARMACEUTICALS LTD. (CA) 2008-12-04 US disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 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 (2 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-20040147529-A1 Preferentially substituted calcium channel blockers CACNA1B, CACNA1C, CACNA1D CACNA2D1 36/4885CACNA1B 1/4885CACNB1 13/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 CACNA2D1 90/4885CACNA1B 1/4885CACNB1 4/4885

“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.