Vesamicol

Vesamicol

SCHEMBL4499984

O[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 13/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
ALDH1A1 P00352 1/20 0.97
APEX1 P27695 1/20 0.97
BLM P54132 1/20 0.97

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
Vesamicol SCHEMBL571598 1.00 SLC18A3 (1.00) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
Vesamicol SCHEMBL4499985 1.00 SLC18A3 (1.00) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
Vesamicol SCHEMBL12648665 1.00 SLC18A3 (1.00) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
Vesamicol SCHEMBL8984052 0.97 SLC18A3 (0.94) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
Vesamicol SCHEMBL29506749 0.89 SLC18A3 (0.79) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL25405320 0.84 SLC18A3 (0.73) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL29187480 0.84 SLC18A3 (0.73) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL29187479 0.84 SLC18A3 (0.73) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL9980685 0.83 SLC18A3 (0.72) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL11007772 0.83 SLC18A3 (1.00) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 US disclosed
US-20090005576-A1 Production Method of Optically Active Cyclohexane Ether Compounds ASTELLAS PHARMA INC. (JP) 2009-01-01 US disclosed
US-5876694-A NON-INVASIVELY MAPPING CHOLINERGIC INNERVATION IN A LIVING BRAIN COMPRISES INJECTING THE BRAIN WITH A RADIOLABELLED VESAMICOL DERIVATIVE, MAGNETIC RESONANCE IMAGING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-03-02 US disclosed
EP-0648130-B1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING UNIV MICHIGAN (US) 1998-12-30 EP disclosed
US-5789420-A Azavesamicols REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-04 US disclosed
US-5721243-A ANTICHOLINERGIC AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-02-24 US disclosed
US-5554752-A SPIRO FUSED PIPERIDINES CAPABLE OF BINDING TO A VESAMICOL RECEPTOR AND HAVING ANTICHOLINERGIC PROPERTIES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-09-10 US disclosed
EP-0576611-A4 RADIOPHARMACEUTICAL AGENTS FOR THE DETECTION OF ALZHEIMER'S DISEASE UNIV MINNESOTA (US) 1996-01-24 EP disclosed
US-5457207-A Anticholinergic agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-10-10 US disclosed
WO-1995009631-A1 SPIROVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-04-13 WO disclosed
EP-0643696-A1 AZAVESAMICOLS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-03-22 EP disclosed
EP-0643696-A4 AZAVESAMICOLS. UNIV MINNESOTA (US) 1995-01-20 EP disclosed
US-5358712-A For binding to receptors when monitoring for cholinergic innervation in living brains, detection of Alzheimer*s disease REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-10-25 US disclosed
US-5338852-A Azavesamicols REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-08-16 US disclosed
EP-0576611-A1 RADIOPHARMACEUTICAL AGENTS FOR THE DETECTION OF ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-01-05 EP disclosed
WO-1993024457-A1 AZAVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1993-12-09 WO disclosed
WO-1992016239-A1 RADIOPHARMACEUTICAL AGENTS FOR THE DETECTION OF ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-10-01 WO disclosed
US-5077035-A Scintigraphic imaging of brain; Alzheimer*s diagnosis THE UNIVERSITY OF MICHIGAN (US) 1991-12-31 US 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 (2 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 SLC18A3 248/4885CYP2D6 548/4885TSHR 599/4885
US-20090005576-A1 Production Method of Optically Active Cyclohexane Ether Compounds DHPS, CYP8B1, CYP51A1 SLC18A3 3557/4885CYP2D6 43/4885TSHR 2487/4885

“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.