SCHEMBL5778065

SCHEMBL5778065

COc1ncccc1CN1CCC(CC(=O)c2ccccc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
ACHE P22303 4/20 0.45
FAAH O00519 1/20 0.43
CXCR4 P61073 1/20 0.42
C3AR1 Q16581 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
ACKR3 P25106 1/20 0.41
CHRM4 P08173 1/20 0.40
HTR4 Q13639 1/20 0.40

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
SCHEMBL5778196 0.89 CXCR4 (0.50) KDM4EACHEFAAHCXCR4DRD2
SCHEMBL5780999 0.88 MEN1 (0.48) ACHEFAAHCXCR4DRD2DRD4
SCHEMBL5782554 0.87 ACHE (0.46) ACHEFAAHCXCR4DRD2DRD4
SCHEMBL5782392 0.85 CXCR4 (0.47) ACHECXCR4
SCHEMBL6887761 0.85 ACHE (0.43) ACHEFAAHCXCR4C3AR1DRD2
SCHEMBL5781408 0.85 ACHE (0.49) KDM4EACHEFAAHCXCR4DRD2
SCHEMBL6896331 0.85 EPHX2 (0.48) KDM4EACHEFAAH
SCHEMBL5779957 0.83 CCR3 (0.41) KDM4EACHEFAAHCXCR4C3AR1
SCHEMBL5777906 0.82 CCR3 (0.42) ACHEFAAHCXCR4DRD4ACKR3
SCHEMBL5802576 0.81 ALDH1A1 (0.46) KDM4EACHEFAAHCXCR4

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 KDM4E 2057/4885MAPK1 1239/4885ACHE 1318/4885

“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.