SCHEMBL5822880

SCHEMBL5822880

COc1ncccc1CN1CCC(CCc2ccccc2OCC2CCCCO2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
ACHE P22303 2/20 0.41
FAAH O00519 1/20 0.41
DRD4 P21917 2/20 0.40

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
SCHEMBL5779545 0.88 KCNH2 (0.48) KCNH2DRD4
SCHEMBL5780044 0.87 KCNH2 (0.48) KCNH2FAAHDRD4
SCHEMBL5783233 0.85 KCNH2 (0.45) KCNH2FAAHDRD4
SCHEMBL5779336 0.84 KCNH2 (0.56) KCNH2FAAH
SCHEMBL5801829 0.82 KCNH2 (0.46) KCNH2FAAHDRD4
SCHEMBL5782711 0.82 DRD2 (0.48) KCNH2ACHEFAAHDRD4
SCHEMBL5781360 0.81 KCNH2 (0.50) KCNH2ACHEDRD4
SCHEMBL6896722 0.81 KCNH2 (0.54) KCNH2DRD4
SCHEMBL6887518 0.81 KCNH2 (0.48) KCNH2DRD4
SCHEMBL5778736 0.81 KCNH2 (0.57) KCNH2DRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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 (1 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 KCNH2 6/4885ACHE 1318/4885FAAH 646/4885

“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.