SCHEMBL1264017

SCHEMBL1264017

Nc1ccc(CC2CCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.66
SLC6A4 P31645 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EP300 Q09472 1/20 0.41
HTR6 P50406 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL7446113 0.85 MEN1 (0.49) GBA1MEN1KMT2AHTR6GFER
SCHEMBL21799757 0.84 GBA1 (0.66) GBA1SLC6A4EP300HRH3HRH4
Tert-Butyl Formate SCHEMBL28010204 0.82 GBA1 (0.46) GBA1SLC6A4MEN1KMT2AEP300
SCHEMBL26528992 0.81 ALDH1A1 (0.50) GBA1MEN1KMT2AHTR6GFER
SCHEMBL7438487 0.81 NFE2L2 (0.47) GBA1MEN1KMT2AHTR6HRH3
SCHEMBL27410823 0.81 GFER (0.46) GBA1SLC6A4EP300HRH3GFER
SCHEMBL25133603 0.80 GBA1 (0.66) GBA1SLC6A4EP300HTR6HRH3
SCHEMBL15718702 0.80 GBA1 (0.66) GBA1SLC6A4EP300HRH3HRH4
SCHEMBL4245166 0.80 GBA1 (0.66) GBA1SLC6A4MEN1KMT2AEP300
SCHEMBL895063 0.80 GBA1 (0.66) GBA1SLC6A4

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558093-B Agents for preventing and treating disorders involving modulation of the RYR receptors THE TRUSTEES OF COLUMBIA UNIV. IN THE CITY OF NEW YORK (US) 2014-10-15 CN disclosed
EP-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP disclosed
EP-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP disclosed
CN-101500576-B Agents for the prevention and treatment of disorders involving modulation of RYR receptors UNIV COLUMBIA 2013-08-14 CN disclosed
CN-102558093-A Agents for preventing and treating disorders involving modulation of the ryr receptors UNIV COLUMBIA 2012-07-11 CN disclosed
US-8022058-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-20 US disclosed
US-8022058-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-20 US disclosed
US-8022058-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-09-20 US disclosed
EP-2311464-A1 Agents for preventing and treating disorders involving modulation of the ryr receptors The Trustees of Columbia University in the City of New York (US) 2011-04-20 EP disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 WO disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
EP-0763535-B1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GMBH (DE) 2002-11-27 EP disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
CN-1067391-C Piperidyl methyl oxazolidinone MERCK PATENT GMBH (DE) 2001-06-20 CN disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
CN-1216762-A 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 1999-05-19 CN disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5714502-A Piperidinylmethyloxazolidinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-03 US disclosed
CN-1148594-A Piperidyl methyl oxazolidinone MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed
EP-0763535-A1 Piperidinylmethyloxazolidin-2-one derivatives, their preparation and their use as pharmacological active CNS compounds MERCK PATENT GmbH (DE) 1997-03-19 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-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 GBA1 4027/4885SLC6A4 1007/4885MEN1 1906/4885

“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.