SCHEMBL5027802

SCHEMBL5027802

COc1cc(OCCN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.74
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
NLRP1 Q9C000 1/20 0.50
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5026288 0.90 KCNH2 (0.62) KCNH2LMNAMAPTNLRP1ALDH1A1
SCHEMBL5074794 0.87 KCNH2 (0.61) KCNH2
SCHEMBL5024061 0.86 KCNH2 (0.59) KCNH2LMNAMAPTNLRP1ALDH1A1
SCHEMBL5023992 0.85 KCNH2 (1.00) KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5026282 0.85 KCNH2 (1.00) KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5027782 0.84 LMNA (0.62) KCNH2LMNAMAPTNLRP1ALDH1A1
SCHEMBL5017522 0.82 HTR1A (0.56) KCNH2LMNAALDH1A1USP2HPGD
SCHEMBL5023984 0.81 KCNH2 (0.76) KCNH2
SCHEMBL5017497 0.79 KCNH2 (0.56) KCNH2LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5017483 0.78 KCNH2 (0.55) KCNH2LMNASMN1; SMN2USP2

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 6 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

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 KCNH2 42/4885LMNA 2071/4885MAPT 1419/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 KCNH2 109/4885LMNA 2327/4885MAPT 2243/4885

“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.