SCHEMBL5783233

SCHEMBL5783233

COc1ncccc1CN1CCC(CCc2cccc(OCC3CCCCO3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
FAAH O00519 1/20 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
SCHEMBL5779437 0.88 KCNH2 (0.49) KCNH2DRD2DRD4DRD3
SCHEMBL5822880 0.85 KCNH2 (0.44) KCNH2DRD4FAAH
SCHEMBL5781718 0.83 KCNH2 (0.47) KCNH2DRD2DRD4DRD3FAAH
SCHEMBL5779493 0.82 HRH3 (0.42) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL5782716 0.79 DRD2 (0.53) DRD2DRD4DRD3
SCHEMBL5780849 0.78 MAOA (0.54) KCNH2DRD2DRD4DRD3
SCHEMBL5784747 0.78 GPR6 (0.47) DRD2DRD4DRD3
SCHEMBL5780194 0.78 DRD2 (0.61) DRD2DRD4DRD3
SCHEMBL5782711 0.76 DRD2 (0.48) KCNH2DRD2DRD4DRD3FAAH
SCHEMBL5781312 0.75 DRD2 (0.53) DRD2DRD4DRD3HRH3

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 6/4885DRD2 53/4885DRD4 117/4885

“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.