SCHEMBL5778296

SCHEMBL5778296

COc1ncccc1CN1CCC(CCc2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
DCPS Q96C86 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL5779336 0.91 KCNH2 (0.56) KCNH2
SCHEMBL5781360 0.86 KCNH2 (0.50) KCNH2DRD2DRD4DRD3
SCHEMBL6896722 0.86 KCNH2 (0.54) KCNH2DRD2DRD4DRD3
SCHEMBL5783350 0.85 MEN1 (0.47) KCNH2DRD2DRD4DRD3
SCHEMBL6887518 0.85 KCNH2 (0.48) KCNH2DRD2DRD4DRD3
SCHEMBL5778736 0.85 KCNH2 (0.57) KCNH2DRD2DRD4DRD3
SCHEMBL5779545 0.85 KCNH2 (0.48) KCNH2DRD2DRD4DRD3
SCHEMBL5801829 0.85 KCNH2 (0.46) KCNH2DRD2DRD4DRD3
SCHEMBL5781443 0.85 KCNH2 (0.46) KCNH2DRD2DRD4DRD3
SCHEMBL5780044 0.84 KCNH2 (0.48) KCNH2DRD2DRD4DRD3

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 6/4885DCPS 3564/4885DRD2 53/4885

“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.