SCHEMBL6896416

SCHEMBL6896416

COc1ncccc1CN1CCC(C=CCCc2cccc3c2OCO3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ PDCD1LG2 Q9BQ51 2/20 0.35
▸ CD274 Q9NZQ7 2/20 0.35
▸ OGA O60502 1/20 0.35
▸ PTGER2 P43116 1/20 0.35

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
SCHEMBL5780919 1.00 LMNA (0.39) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL5781461 0.87 LMNA (0.38) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL5782242 0.85 NPC1 (0.42) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL5781276 0.83 FAAH (0.42) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL5779871 0.82 FAAH (0.41) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL5782049 0.81 FAAH (0.41) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL5780164 0.74 CHRNB4 (0.43) ALDH1A1MAPTKMT2ANPSR1HTT
SCHEMBL5778840 0.74 CHRM4 (0.49) MEN1ALDH1A1MAPTPKMKMT2A
SCHEMBL5782945 0.74 PDCD1LG2 (0.41) MAPTPDCD1LG2CD274ACHE
SCHEMBL5781196 0.73 ACHE (0.44) ALDH1A1PDCD1LG2CD274PTGER2ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 2085/4885POLB 2797/4885MEN1 3216/4885

“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.

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