SCHEMBL5779726

SCHEMBL5779726

COc1ccccc1C(=O)CC1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.52
KCNH2 Q12809 1/20 0.52
CXCR4 P61073 3/20 0.47
GNAI3 P08754 1/20 0.44
ACHE P22303 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
FAAH O00519 1/20 0.44
PTPN11 Q06124 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL5781048 0.88 CCR8 (0.42) CCR8KCNH2CXCR4FAAH
SCHEMBL6895342 0.84 CXCR4 (0.48) CXCR4DRD2DRD4ALDH1A1
SCHEMBL1475964 0.83 FAAH (0.42) CCR8KCNH2CXCR4ACHEFAAH
SCHEMBL5781722 0.83 LMNA (0.42) CCR8KCNH2ACHEDRD2DRD4
SCHEMBL5783305 0.82 KDM4E (0.44) ACHECHRM1KMT2AMEN1KDM4E
SCHEMBL5777415 0.82 BCHE (0.48) ACHE
SCHEMBL5778815 0.81 KCNH2 (0.53) KCNH2CXCR4GNAI3
SCHEMBL5781093 0.81 CCR8 (0.48) CCR8KCNH2CXCR4GNAI3ACHE
SCHEMBL5783004 0.81 ALDH1A1 (0.41) CCR8KCNH2ACHEKMT2AKDM4E
SCHEMBL5778196 0.80 CXCR4 (0.50) CXCR4ACHECHRM2CHRM4CHRM5

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
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

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 CCR8 1733/4885KCNH2 6/4885CXCR4 972/4885

“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.