SCHEMBL5778196

SCHEMBL5778196

COc1ccccc1C(=O)CC1CCN(Cc2cccnc2OC)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.50
FAAH O00519 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
ACHE P22303 2/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
GPR6 P46095 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 1/20 0.44
SLC6A12 P48065 1/20 0.44
POLB P06746 1/20 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

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
SCHEMBL5781408 0.92 ACHE (0.49) CXCR4FAAHMEN1KMT2AKDM4E
SCHEMBL5778065 0.89 KDM4E (0.46) CXCR4FAAHKDM4EACHEDRD2
SCHEMBL5780999 0.89 MEN1 (0.48) CXCR4FAAHMEN1KMT2AALDH1A1
SCHEMBL5782554 0.88 ACHE (0.46) CXCR4FAAHMEN1KMT2AACHE
SCHEMBL1475130 0.87 FAAH (0.44) CXCR4FAAHMEN1KMT2AKDM4E
SCHEMBL5782392 0.86 CXCR4 (0.47) CXCR4ACHE
SCHEMBL6887761 0.86 ACHE (0.43) CXCR4FAAHACHEDRD2DRD4
SCHEMBL6896331 0.86 EPHX2 (0.48) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL5779957 0.84 CCR3 (0.41) CXCR4FAAHKDM4EALDH1A1ACHE
SCHEMBL5777906 0.82 CCR3 (0.42) CXCR4FAAHKMT2AACHEDRD4

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 CXCR4 972/4885FAAH 646/4885MEN1 3216/4885

“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.