SCHEMBL6893997

SCHEMBL6893997

COc1ncccc1CN1CCC(C=Cc2ccccc2CCC2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
C3AR1 Q16581 1/20 0.37
KCNH2 Q12809 1/20 0.36
FAAH O00519 1/20 0.35
ACKR3 P25106 1/20 0.35
KDM1A O60341 3/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5779504 0.86 CHRNB4 (0.41) C3AR1FAAHACKR3
SCHEMBL5782711 0.86 DRD2 (0.48) DRD2DRD4DRD3C3AR1KCNH2
SCHEMBL5780296 0.85 CHRNB4 (0.41) FAAH
SCHEMBL5781196 0.83 ACHE (0.44) KDM1AMAOB
SCHEMBL5778945 0.82 PDE4B (0.38)
SCHEMBL6887742 0.82 KDM1A (0.39) DRD2DRD4DRD3KDM1AMAOB
SCHEMBL5782716 0.81 DRD2 (0.53) DRD2DRD4DRD3MAOB
SCHEMBL5802898 0.80 CXCR4 (0.40) DRD2DRD4DRD3
SCHEMBL5780044 0.80 KCNH2 (0.48) DRD2DRD4DRD3KCNH2FAAH
SCHEMBL5782945 0.80 PDCD1LG2 (0.41) KDM1AMAOB

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.