SCHEMBL6895233

SCHEMBL6895233

O=c1[nH]cccc1CN1CCC(CCc2cccnc2Oc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
CHRM4 P08173 3/20 0.47
OPRM1 P35372 1/20 0.39
ACHE P22303 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PDE10A Q9Y233 1/20 0.37
FAAH O00519 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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 0.87 DRD2 (0.47) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5781323 0.85 CHRM4 (0.43) DRD2DRD4DRD3CHRM4
SCHEMBL7243821 0.85 DRD2 (0.43) DRD2DRD4DRD3CHRM4ACHE
SCHEMBL6895939 0.84 DRD2 (0.42) DRD2DRD4DRD3CHRM4ACHE
SCHEMBL5815483 0.83 KCNH2 (0.42) DRD2DRD4DRD3CHRM4HRH3
SCHEMBL5781082 0.83 DRD2 (0.47) DRD2DRD4DRD3ACHEHRH3
SCHEMBL5782652 0.83 DRD2 (0.51) DRD2DRD4DRD3CHRM4ACHE
SCHEMBL5781268 0.82 DRD2 (0.41) DRD2DRD4DRD3CHRM4ACHE
SCHEMBL5780772 0.82 DRD2 (0.47) DRD2DRD4DRD3CHRM4OPRM1
Oxalic Acid SCHEMBL6893599 0.82 CHRM4 (0.45) CHRM4

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 2 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

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.