SCHEMBL677676

SCHEMBL677676

NCCCCC1Cc2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.58
METAP1 P53582 4/20 0.54
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
DRD3 P35462 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
CYP19A1 P11511 1/20 0.50
DRD1 P21728 1/20 0.46
HDAC1 Q13547 1/20 0.43

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
SCHEMBL31296097 0.84 CYP19A1 (0.57) ACHEHTR2CHTR1ACYP19A1
SCHEMBL6528990 0.84 ACHE (0.62) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL8556555 0.83 ACHE (0.60) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL1853465 0.82 ACHE (0.63) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL11770524 0.78 METAP1 (0.58) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL9324677 0.78 METAP1 (0.63) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL20359102 0.78 METAP1 (0.58) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL30641036 0.77 ACHE (0.54) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL21064364 0.74 METAP1 (0.58) ACHEMETAP1HTR2AHTR2CDRD3
SCHEMBL3077121 0.74 METAP1 (0.54) ACHEMETAP1HTR2AHTR2CDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150371009-A1 DRUG IDENTIFICATION MODELS AND METHODS OF USING THE SAME TO IDENTIFY COMPOUNDS TO TREAT DISEASE CHEN JAKE YUE (US) 2015-12-24 US disclosed
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 US disclosed
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-01 US disclosed
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE MEDIVATION NEUROLOGY, INC. (US) 2010-06-17 US disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
US-7563808-B2 Methods for treating cognitive impairments or dementia EISAI CO., LTD. (JP) 2009-07-21 US disclosed
US-20090131480-A1 Dihydropyridine Compounds for Neurodegenerative Diseases and Dementia EISAI CO., LTD. (JP) 2009-05-21 US disclosed
US-20090042939-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI CO., LTD. (JP) 2009-02-12 US disclosed
US-20090042940-A1 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2009-02-12 US disclosed
US-20080312189-A1 Cadasil Treatment with Cholinesterase Inhibitors EISAI CO., LTD. (JP) 2008-12-18 US disclosed
US-20080167343-A1 Methods and compositions using cholinesterase inhibitors EISAI CO., LTD. (JP) 2008-07-10 US disclosed
US-20070129402-A1 Donepezil; pharmacokinetics; single-dose administration of the formulation to a patient provides a blood plasma level profile with a dosage-corrected Cmax EISAI RESEARCH INSTITUTE (US) 2007-06-07 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 (10 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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A ACHE 20/4885METAP1 1131/4885HTR2A 1220/4885
US-20080167343-A1 Methods and compositions using cholinesterase inhibitors PSEN1, BACE1, PSENEN ACHE 26/4885METAP1 757/4885HTR2A 55/4885
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain ACHE, CHRNA5, CHRNA2 ACHE 1/4885METAP1 313/4885HTR2A 1353/4885
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE PSEN2, APP, PSEN1 ACHE 12/4885METAP1 783/4885HTR2A 185/4885
US-20090131480-A1 Dihydropyridine Compounds for Neurodegenerative Diseases and Dementia CHRNA5, GRIN1, GRIK5 ACHE 33/4885METAP1 807/4885HTR2A 135/4885
US-20070129402-A1 Donepezil; pharmacokinetics; single-dose administration of the formulation to a patient provides a blood plasma level profile with a dosage-corrected Cmax CYP3A5, SLC6A2, SLC6A4 ACHE 4/4885METAP1 549/4885HTR2A 82/4885
US-20090042939-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN ACHE 26/4885METAP1 757/4885HTR2A 55/4885
US-20080312189-A1 Cadasil Treatment with Cholinesterase Inhibitors NOTCH3, NOTCH2, NOTCH4 ACHE 156/4885METAP1 313/4885HTR2A 1912/4885
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN ACHE 26/4885METAP1 757/4885HTR2A 55/4885
US-20090042940-A1 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS PSEN1, BACE1, PSENEN ACHE 26/4885METAP1 757/4885HTR2A 55/4885

“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.