SCHEMBL3869733

SCHEMBL3869733

COc1ccc(OCCN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.62
CACNA2D1 P54289 6/20 0.54
CACNB1 Q02641 6/20 0.54
CACNA1B Q00975 5/20 0.54
CACNA1C Q13936 4/20 0.54
CACNA1G O43497 1/20 0.54
DRD2 P14416 3/20 0.53
KCNA5 P22460 1/20 0.52
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
CACNA1A O00555 1/20 0.48

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
SCHEMBL3890903 0.90 CACNA2D1 (0.64) DRD3CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3864509 0.88 DRD3 (0.68) DRD3CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3871235 0.81 CACNA2D1 (0.60) DRD3CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3888036 0.80 DRD3 (0.60) DRD3DRD2KDM4ETDP1ADRA1A
SCHEMBL5027723 0.79 KCNH2 (0.56) DRD3CACNA1CDRD2ADRA1AADRA1B
SCHEMBL5026257 0.78 KCNA5 (0.59) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL3866660 0.78 CACNA2D1 (0.53) DRD3CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL5080776 0.76 ALOX5 (0.53) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5080780 0.75 CACNA2D1 (0.49) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5056246 0.74 ALDH1A1 (0.69) KDM4ETDP1MEN1TP53MAPK1

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
EP-1670775-A4 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-04-22 EP claimed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 US claimed
JP-2007504174-A 2007-03-01 JP claimed
EP-1670775-A1 PIPERAZINE SUBTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-06-21 EP claimed
WO-2005021523-A1 PIPERAZINE SUBSTITUTED COMPOUNDS USED AS CALCIUM CHANNEL BLOCKERS NEUROMED TECHNOLOGIES, INC. (CA) 2005-03-10 WO 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
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

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 DRD3 759/4885CACNA2D1 36/4885CACNB1 13/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 DRD3 1634/4885CACNA2D1 90/4885CACNB1 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.