SCHEMBL5780436

SCHEMBL5780436

COc1ncccc1CN1CCC(C=Cc2ccccc2Oc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
CXCR4 P61073 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MAPT P10636 1/20 0.38
KDM1A O60341 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 1/20 0.38
CHRM4 P08173 2/20 0.38
GNAI3 P08754 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5783161 0.89 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5802898 0.88 CXCR4 (0.40) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL6887742 0.87 KDM1A (0.39) ALDH1A1CXCR4CHRNB4CHRNA3KDM1A
SCHEMBL5778945 0.86 PDE4B (0.38) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5783940 0.86 CCR8 (0.41) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5781196 0.85 ACHE (0.44) ALDH1A1CXCR4KDM1AMAOBBCHE
SCHEMBL5780296 0.85 CHRNB4 (0.41) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5779504 0.84 CHRNB4 (0.41) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5782945 0.81 PDCD1LG2 (0.41) CXCR4MAPTKDM1AMAOBBCHE
SCHEMBL5783845 0.80 KDM4E (0.43) ALDH1A1LMNAMEN1KMT2AMAOB

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 ALDH1A1 408/4885LMNA 2085/4885MAPK1 1239/4885

“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.