SCHEMBL5017522

SCHEMBL5017522

Fc1ccc(C(CCCCCN2CCN(CCOc3ccccc3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
HRH3 Q9Y5N1 2/20 0.55
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL4752729 0.95 HTR2A (0.59) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL5027782 0.95 LMNA (0.62) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL5024061 0.89 KCNH2 (0.59) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL5077507 0.84 CACNA1F (0.66) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL10363644 0.84 USP2 (0.56) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL5027802 0.82 KCNH2 (0.74) LMNAUSP2ALDH1A1HPGDKCNH2
SCHEMBL5026288 0.82 KCNH2 (0.62) DRD2DRD3MEN1LMNAHTT
SCHEMBL5017497 0.82 KCNH2 (0.56) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL5017507 0.81 MAPT (0.55) DRD2DRD3MEN1LMNAHTT
SCHEMBL9414086 0.81 SLC6A3 (0.51) HTR1ADRD2HTR2AHRH1DRD3

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-1611116-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE Neuromed Technologies, Inc. (CA) 2006-01-04 EP claimed
US-6943168-B2 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES INC. (CA) 2005-09-13 US 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-20040044004-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES, INC. 2004-03-04 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
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 (3 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-20040044004-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D HTR1A 834/4885DRD2 1147/4885HTR2A 372/4885
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D HTR1A 834/4885DRD2 1147/4885HTR2A 372/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 HTR1A 517/4885DRD2 1553/4885HTR2A 429/4885

“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.