SCHEMBL5492091

SCHEMBL5492091

NCCNc1c2c(nc3ccccc13)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.81
BCHE P06276 1/20 0.78

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
SCHEMBL5487643 0.92 ACHE (0.90) ACHEBCHE
SCHEMBL5485655 0.91 ACHE (0.97) ACHEBCHE
SCHEMBL5945380 0.90 ACHE (1.00) ACHEBCHE
SCHEMBL5486217 0.90 ACHE (1.00) ACHEBCHE
SCHEMBL5945371 0.90 ACHE (1.00) ACHEBCHE
SCHEMBL5489233 0.90 ACHE (1.00) ACHEBCHE
SCHEMBL1537859 0.90 ACHE (1.00) ACHEBCHE
SCHEMBL24000133 0.89 BCHE (0.97) ACHEBCHE
SCHEMBL13480729 0.89 BCHE (0.92) ACHEBCHE
SCHEMBL15168191 0.87 ACHE (1.00) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375684-B AChE-EGFR double-target inhibitor and preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-116375684-A AChE-EGFR double-target inhibitor and preparation method and application thereof 中国药科大学 2023-07-04 CN disclosed
CN-111592530-B Acldoxime-containing tacrine derivative selective butyrylcholinesterase inhibitor and preparation method and application thereof 山东大学 2021-09-24 CN disclosed
WO-2021047572-A1 GSK-3β/CHE DOUBLE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2021-03-18 WO disclosed
CN-111349085-B Pyrimidone compounds or pharmaceutically acceptable salts thereof, preparation method and application 中国药科大学 2021-02-09 CN disclosed
CN-111592530-A Acldoxime-containing tacrine derivative selective butyrylcholinesterase inhibitor and preparation method and application thereof 山东大学 2020-08-28 CN disclosed
CN-111349085-A Pyrimidone compounds or pharmaceutically acceptable salts thereof, preparation method and application 中国药科大学 2020-06-30 CN disclosed
US-10557853-B2 Molecular sensor and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-02-11 US disclosed
US-20170307625-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-10-26 US disclosed
US-9696310-B2 Molecular sensor and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-04 US disclosed
US-20150276753-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-10-01 US disclosed
US-20070299093-A1 Organic Compounds Useful for the Treatment of Alzheimer's Disease, Their Use and Method of Preparation Alma Mater Studiorum-Universitá Di Bologna (IT) 2007-12-27 US disclosed
US-7307083-B2 Tetrahydro-acridine and dithiolane derivatives ALMA MATER STUDIORUM-UNIVERSITA'DI BOLOGNA (IT) 2007-12-11 US disclosed
US-20070219241-A1 Organic Compounds Useful For The Treatment Of Alzheimer's Disease, Their Use And Method Of Preparation ALMA MATER STUDIORUM-UNIVERSITA'DI BOLOGNA (IT) 2007-09-20 US disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 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 (5 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-20070219241-A1 Organic Compounds Useful For The Treatment Of Alzheimer's Disease, Their Use And Method Of Preparation OTC, PSEN2, PSEN1 ACHE 5/4885BCHE 7/4885
US-20150276753-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF MAVS, STIM1, HSPE1 ACHE 4544/4885BCHE 4659/4885
US-20170307625-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF MAVS, STIM1, HSPE1 ACHE 4544/4885BCHE 4659/4885
US-20070299093-A1 Organic Compounds Useful for the Treatment of Alzheimer's Disease, Their Use and Method of Preparation OTC, PSEN2, PSEN1 ACHE 5/4885BCHE 7/4885
US-10557853-B2 Molecular sensor and methods of use thereof MAVS, STIM1, HSPE1 ACHE 4544/4885BCHE 4659/4885

“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.