SCHEMBL5080776

SCHEMBL5080776

Cc1cc(OCCN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.53
CACNA2D1 P54289 8/20 0.47
CACNA1B Q00975 8/20 0.47
CACNB1 Q02641 8/20 0.47
CACNA1C Q13936 5/20 0.47
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 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
SCHEMBL3864403 0.85 POLB (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL8446326 0.85 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3861150 0.81 ALOX5 (0.47) ALOX5CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3890903 0.78 CACNA2D1 (0.64) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3866660 0.76 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL5026257 0.76 KCNA5 (0.59) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL5080780 0.76 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3869733 0.76 DRD3 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3864509 0.76 DRD3 (0.68) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3871235 0.73 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G

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 3 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

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 ALOX5 1123/4885CACNA2D1 36/4885CACNA1B 1/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 ALOX5 770/4885CACNA2D1 90/4885CACNA1B 1/4885

“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.