SCHEMBL5779489

SCHEMBL5779489

COc1ncccc1CN1CCC(CC=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.44
ACHE P22303 2/20 0.42
KDM1A O60341 3/20 0.40
MAOB P27338 1/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDCD1LG2 Q9BQ51 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5784026 0.89 FAAH (0.44) CXCR4ACHEKDM1AMAOBFAAH
SCHEMBL5780164 0.85 CHRNB4 (0.43) CXCR4ACHEKDM1AMAOBKMT2A
SCHEMBL12767598 0.85 CXCR4 (0.44) CXCR4KDM1AMAOBFAAHMEN1
SCHEMBL5778746 0.84 CXCR4 (0.46) CXCR4ACHEKDM1AMAOBFAAH
SCHEMBL5779354 0.82 LTA4H (0.43) CXCR4ACHEFAAHMEN1KMT2A
SCHEMBL15214327 0.82 ACHE (0.54) ACHEKDM1AMAOBPDCD1LG2CD274
SCHEMBL5780521 0.81 FAAH (0.45) CXCR4ACHEKDM1AMAOBFAAH
SCHEMBL5781232 0.81 MEN1 (0.60) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL5777985 0.81 ALDH1A1 (0.48) CXCR4ACHEFAAHMEN1KMT2A
SCHEMBL5782392 0.81 CXCR4 (0.47) CXCR4ACHE

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 CXCR4 972/4885ACHE 1318/4885KDM1A 844/4885

“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.