SCHEMBL6896331

SCHEMBL6896331

COc1ncccc1CN1CCC(CC(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RBP4 P02753 1/20 0.45
TTR P02766 1/20 0.45
FAAH O00519 2/20 0.43
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SSTR4 P31391 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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 0.86 CXCR4 (0.50) ALDH1A1KDM4EFAAHACHECYP2C9
SCHEMBL5778065 0.85 KDM4E (0.46) KDM4EFAAHACHE
SCHEMBL5780999 0.85 MEN1 (0.48) ALDH1A1FAAHACHEMAPTMEN1
SCHEMBL5777906 0.85 CCR3 (0.42) EPHX2FAAHACHEKMT2A
SCHEMBL5782554 0.84 ACHE (0.46) FAAHACHECYP2C19MEN1KMT2A
SCHEMBL5782392 0.83 CXCR4 (0.47) ACHEBCHE
SCHEMBL6887761 0.83 ACHE (0.43) FAAHACHE
SCHEMBL5781408 0.83 ACHE (0.49) ALDH1A1KDM4ERBP4TTRFAAH
SCHEMBL5802576 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EFAAHACHECTNNB1
SCHEMBL5783350 0.82 MEN1 (0.47) EPHX2ALDH1A1KDM4EACHEBCHE

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 EPHX2 2523/4885ALDH1A1 408/4885KDM4E 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.