SCHEMBL5779957

SCHEMBL5779957

COc1ncccc1CN1CCC(CC(=O)c2ccccc2NS(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CXCR4 P61073 1/20 0.41
CHRM4 P08173 2/20 0.40
GPR6 P46095 3/20 0.40
MCHR1 Q99705 2/20 0.40
FAAH O00519 1/20 0.40
TNF P01375 2/20 0.40
C3AR1 Q16581 1/20 0.40
ACKR3 P25106 1/20 0.39

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
SCHEMBL6887761 0.86 ACHE (0.43) ACHECXCR4CHRM4GPR6FAAH
SCHEMBL5777906 0.84 CCR3 (0.42) CCR3ACHECXCR4CHRM4GPR6
SCHEMBL5778196 0.84 CXCR4 (0.50) ACHEKDM4EALDH1A1CXCR4CHRM4
SCHEMBL5780314 0.83 DRD2 (0.45) CCR3ACHECXCR4CHRM4FAAH
SCHEMBL5780999 0.83 MEN1 (0.48) ACHEALDH1A1CXCR4FAAH
SCHEMBL5778065 0.83 KDM4E (0.46) ACHEKDM4ECXCR4CHRM4FAAH
SCHEMBL5782554 0.82 ACHE (0.46) ACHECXCR4CHRM4FAAHACKR3
SCHEMBL5782392 0.81 CXCR4 (0.47) ACHECXCR4
SCHEMBL6896331 0.81 EPHX2 (0.48) ACHEKDM4EALDH1A1FAAH
SCHEMBL5781408 0.81 ACHE (0.49) ACHEKDM4EALDH1A1CXCR4GPR6

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 CCR3 1473/4885ACHE 1318/4885KDM4E 2057/4885

“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.