SCHEMBL5026257

SCHEMBL5026257

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.59
CACNA1G O43497 3/20 0.58
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 2/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
CACNA2D1 P54289 6/20 0.53
CACNB1 Q02641 6/20 0.53
CACNA1B Q00975 5/20 0.53
CACNA1C Q13936 4/20 0.53
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CACNA1A O00555 1/20 0.52
KDM4E B2RXH2 3/20 0.51
TSHR P16473 1/20 0.51

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 0.81 CACNA2D1 (0.53) CACNA1GOPRM1OPRD1CACNA2D1CACNB1
SCHEMBL5069064 0.79 HPGD (0.58) KCNA5HPGDMEN1KMT2AALDH1A1
SCHEMBL3869733 0.78 DRD3 (0.62) KCNA5CACNA1GMEN1KMT2ACACNA2D1
SCHEMBL16598604 0.78 MEN1 (0.60) KCNA5HPGDMEN1KMT2AALDH1A1
SCHEMBL16598603 0.78 MEN1 (0.60) KCNA5HPGDMEN1KMT2AALDH1A1
SCHEMBL5480294 0.77 HPGD (0.61) KCNA5HPGDMEN1KMT2AALDH1A1
SCHEMBL5080776 0.76 ALOX5 (0.53) CACNA1GHPGDCACNA2D1CACNB1CACNA1B
SCHEMBL5080780 0.76 CACNA2D1 (0.49) CACNA1GCACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3890903 0.76 CACNA2D1 (0.64) KCNA5CACNA1GMEN1KMT2AALDH1A1
SCHEMBL3871235 0.76 CACNA2D1 (0.60) KCNA5CACNA1GCACNA2D1CACNB1CACNA1B

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 7 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
EP-1871372-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN Neuromed Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US disclosed
WO-2006105670-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN NEUROMED PHARMACEUTICALS LTD. (CA) 2006-10-12 WO 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 KCNA5 92/4885CACNA1G 4/4885HPGD 2178/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 KCNA5 229/4885CACNA1G 13/4885HPGD 1442/4885

“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.