SCHEMBL6895939

SCHEMBL6895939

COCCOc1ncccc1CCC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
CHRM4 P08173 1/20 0.37
KCNH2 Q12809 3/20 0.36
FAAH O00519 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 2/20 0.34
CCR8 P51685 1/20 0.34

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
SCHEMBL5802128 0.90 DRD2 (0.47) DRD2DRD4DRD3KCNH2FAAH
SCHEMBL5781268 0.89 DRD2 (0.41) DRD2DRD4DRD3CHRM4KCNH2
SCHEMBL5781082 0.86 DRD2 (0.47) DRD2DRD4DRD3KCNH2FAAH
SCHEMBL5782048 0.86 DRD2 (0.40) DRD2DRD4DRD3CHRM4KCNH2
SCHEMBL7243821 0.86 DRD2 (0.43) DRD2DRD4DRD3CHRM4ACHE
SCHEMBL6895233 0.84 DRD2 (0.49) DRD2DRD4DRD3CHRM4FAAH
SCHEMBL5781859 0.81 ACHE (0.42) DRD2DRD4DRD3CHRM4KCNH2
Oxalic Acid SCHEMBL6888474 0.81 KCNH2 (0.47) KCNH2MEN1KMT2A
SCHEMBL5780772 0.81 DRD2 (0.47) DRD2DRD4DRD3CHRM4FAAH
SCHEMBL5780288 0.81 DRD2 (0.45) DRD2DRD4DRD3CHRM4FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.