SCHEMBL5783161

SCHEMBL5783161

COc1ncccc1CN1CCC(C=Cc2ccccc2OCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
CXCR4 P61073 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
BACE1 P56817 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL5802898 0.91 CXCR4 (0.40) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5780436 0.89 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5783940 0.88 CCR8 (0.41) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5780296 0.87 CHRNB4 (0.41) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5779504 0.86 CHRNB4 (0.41) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL5778945 0.86 PDE4B (0.38) ALDH1A1LMNAMAPK1CXCR4L3MBTL1
SCHEMBL6887742 0.85 KDM1A (0.39) ALDH1A1CXCR4NPC1RAB9ACHRM4
SCHEMBL5781196 0.85 ACHE (0.44) ALDH1A1CXCR4ACHECYP3A4KDM1A
SCHEMBL5783845 0.82 KDM4E (0.43) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL5782945 0.81 PDCD1LG2 (0.41) CXCR4CHRM4ACHEMAPTKDM1A

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.