SCHEMBL5779504

SCHEMBL5779504

COc1ncccc1CN1CCC(C=Cc2ccccc2OCC2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
ACHE P22303 1/20 0.38
CXCR4 P61073 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DCPS Q96C86 2/20 0.36
GNAI3 P08754 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 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
SCHEMBL5780296 0.99 CHRNB4 (0.41) CHRNB4CHRNA3ACHECXCR4ALDH1A1
SCHEMBL5780681 0.91 CHRNB4 (0.41) CHRNB4CHRNA3CYP2D6DCPSACKR3
SCHEMBL5778455 0.91 CHRNB4 (0.40) CHRNB4CHRNA3ACHECYP2D6DCPS
SCHEMBL1475765 0.88 CHRNB4 (0.37) CHRNB4CHRNA3ACHEALDH1A1LMNA
SCHEMBL1475768 0.88 CHRNB4 (0.37) CHRNB4CHRNA3ACHEALDH1A1LMNA
SCHEMBL5778945 0.87 PDE4B (0.38) CHRNB4CHRNA3CXCR4ALDH1A1LMNA
SCHEMBL6893997 0.86 DRD2 (0.39) FAAHC3AR1ACKR3
SCHEMBL5779260 0.86 DCPS (0.41) CHRNB4CHRNA3ACHECYP2D6DCPS
SCHEMBL5781763 0.86 CXCR4 (0.36) CXCR4ALDH1A1LMNAMAPK1CYP2D6
SCHEMBL5783161 0.86 ALDH1A1 (0.41) ACHECXCR4ALDH1A1LMNAMAPK1

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 5 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 claimed
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 CHRNB4 1052/4885CHRNA3 628/4885ACHE 1318/4885

“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.