SCHEMBL5024700

SCHEMBL5024700

O=C(CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCN(CCOc2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.63
CACNA1F O60840 5/20 0.63
DRD5 P21918 5/20 0.63
HRH2 P25021 5/20 0.63
ADRA1D P25100 5/20 0.63
HTR2A P28223 5/20 0.63
HTR7 P34969 5/20 0.63
ADRA1A P35348 5/20 0.63
HRH1 P35367 5/20 0.63
ADRA1B P35368 5/20 0.63
OPRM1 P35372 5/20 0.63
HTR6 P50406 5/20 0.63
CACNA1D Q01668 5/20 0.63
SLC6A3 Q01959 5/20 0.63
CACNA1S Q13698 5/20 0.63
CACNA1C Q13936 5/20 0.63
OPRK1 P41145 4/20 0.63
DRD4 P21917 4/20 0.63
ADORA3 P0DMS8 4/20 0.63
OPRD1 P41143 3/20 0.63

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
SCHEMBL5077507 0.96 CACNA1F (0.66) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL5077509 0.95 DRD3 (0.58) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL5027723 0.89 KCNH2 (0.56) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL5079886 0.88 DRD3 (0.53) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL5023654 0.87 CACNA1F (0.58) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL5074794 0.87 KCNH2 (0.61) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL5023632 0.85 SLC6A3 (0.48) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL5027782 0.84 LMNA (0.62) DRD3HTR2AHRH1HTR1ADRD1
SCHEMBL5069064 0.83 HPGD (0.58) DRD3CACNA1FDRD5HRH2ADRA1D
SCHEMBL3871235 0.81 CACNA2D1 (0.60) DRD3CACNA1CDRD2POLBMAPT

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
EP-1611116-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE Neuromed Technologies, Inc. (CA) 2006-01-04 EP claimed
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-30 US claimed
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO 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
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 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-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D DRD3 1585/4885CACNA1F 2/4885DRD5 641/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 DRD3 1634/4885CACNA1F 23/4885DRD5 1965/4885

“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.