SCHEMBL5778945

SCHEMBL5778945

COc1ncccc1CN1CCC(C=Cc2ccccc2OC2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GNAI3 P08754 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL5780296 0.88 CHRNB4 (0.41) CHRNB4CHRNA3ALDH1A1LMNAMAPK1
SCHEMBL5779504 0.87 CHRNB4 (0.41) CHRNB4CHRNA3ALDH1A1LMNAMAPK1
SCHEMBL5783161 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL5780436 0.86 ALDH1A1 (0.39) CHRNB4CHRNA3ALDH1A1LMNAMAPK1
SCHEMBL5802898 0.85 CXCR4 (0.40) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL5783940 0.85 CCR8 (0.41) CHRNB4CHRNA3ALDH1A1LMNAMAPK1
SCHEMBL5781196 0.84 ACHE (0.44) ALDH1A1BCHECYP3A4GNAI3CXCR4
SCHEMBL5778318 0.84 HTR7 (0.38) MEN1KMT2A
SCHEMBL6893997 0.82 DRD2 (0.39)
SCHEMBL6887742 0.81 KDM1A (0.39) CHRNB4CHRNA3ALDH1A1CHRM4CXCR4

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 PDE4B 1083/4885CHRNB4 1052/4885CHRNA3 628/4885

“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.