SCHEMBL5778819

SCHEMBL5778819

COC(Cc1ccccc1)C1CCN(Cc2ccc[nH]c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
CXCR4 P61073 1/20 0.38
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM3 P20309 1/20 0.37
GNAI3 P08754 1/20 0.37
ACHE P22303 1/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5781065 0.85 ACHE (0.39) SIGMAR1MAPTMEN1KMT2APOLB
SCHEMBL5780978 0.84 MEN1 (0.42) SIGMAR1CXCR4MAPTMEN1KMT2A
SCHEMBL5781929 0.82 CCR3 (0.38) SIGMAR1ATML3MBTL1ALDH1A1
SCHEMBL5781370 0.82 RECQL (0.38) SIGMAR1MAPTMEN1KMT2AACHE
SCHEMBL5800740 0.80 ATM (0.39) SIGMAR1MEN1KMT2AACHEATM
SCHEMBL5779405 0.80 SIGMAR1 (0.36) SIGMAR1ACHEATML3MBTL1ALDH1A1
SCHEMBL6888193 0.79 SMN1; SMN2 (0.36) SIGMAR1MEN1KMT2AACHEL3MBTL1
SCHEMBL5782582 0.77 CYP2D6 (0.39) SIGMAR1HDAC8MEN1KMT2AKCNH2
SCHEMBL5779342 0.77 KDM1A (0.42) CXCR4MAPTMEN1KMT2APOLB
SCHEMBL5778870 0.77 ATM (0.61) SIGMAR1MAPTMEN1KMT2AATM

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 SIGMAR1 275/4885CXCR4 972/4885MAPT 3180/4885

“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.