SCHEMBL5026271

SCHEMBL5026271

COc1cc(CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2=O)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.75
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL5026282 0.86 KCNH2 (1.00) KCNH2KDM4EALDH1A1HTT
SCHEMBL5023992 0.86 KCNH2 (1.00) KCNH2KDM4EALDH1A1HTT
SCHEMBL5026297 0.83 KCNH2 (0.60) KCNH2KDM4EALDH1A1HTTSLC6A3
SCHEMBL5017472 0.81 KCNH2 (0.77) KCNH2
SCHEMBL5024071 0.79 KCNH2 (0.82) KCNH2KDM4EALDH1A1
SCHEMBL5024627 0.79 KCNH2 (0.72) KCNH2KDM4EALDH1A1HTT
SCHEMBL8302165 0.78 KCNH2 (0.57) KCNH2SLC6A3
SCHEMBL8302796 0.78 KCNH2 (0.73) KCNH2KDM4EALDH1A1HTT
SCHEMBL5026247 0.78 KCNH2 (0.59) KCNH2ALDH1A1
SCHEMBL5023984 0.78 KCNH2 (0.76) KCNH2

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 8 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

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 KCNH2 42/4885KDM4E 3256/4885ALDH1A1 2967/4885
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D KCNH2 42/4885KDM4E 3256/4885ALDH1A1 2967/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 KCNH2 109/4885KDM4E 3858/4885ALDH1A1 4513/4885

“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.