SCHEMBL5802128

SCHEMBL5802128

COc1ncccc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
FAAH O00519 1/20 0.40
ACHE P22303 4/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38

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
SCHEMBL5781082 0.96 DRD2 (0.47) DRD2DRD4DRD3FAAHACHE
SCHEMBL6895939 0.90 DRD2 (0.42) DRD2DRD4DRD3FAAHACHE
SCHEMBL7243821 0.87 DRD2 (0.43) DRD2DRD4DRD3ACHEHRH3
SCHEMBL6895233 0.87 DRD2 (0.49) DRD2DRD4DRD3FAAHACHE
SCHEMBL5781268 0.87 DRD2 (0.41) DRD2DRD4DRD3FAAHACHE
SCHEMBL5783177 0.86 PDCD1LG2 (0.37) DRD2DRD4DRD3ACHEKCNH2
SCHEMBL5781859 0.85 ACHE (0.42) DRD2DRD4DRD3ACHEKCNH2
SCHEMBL5780772 0.84 DRD2 (0.47) DRD2DRD4DRD3FAAHACHE
SCHEMBL5782048 0.84 DRD2 (0.40) DRD2DRD4DRD3FAAHACHE
SCHEMBL5780288 0.84 DRD2 (0.45) DRD2DRD4DRD3FAAHACHE

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 DRD2 53/4885DRD4 117/4885DRD3 89/4885

“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.