SCHEMBL5489673

SCHEMBL5489673

NCC(N)c1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.57
▸ BCHE P06276 5/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ CACNB4 O00305 1/20 0.57
▸ CACNA1A O00555 1/20 0.57
▸ SLC22A2 O15244 1/20 0.57
▸ SLC22A1 O15245 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ CACNA1G O43497 1/20 0.57
▸ CACNG3 O60359 1/20 0.57
▸ CACNA1F O60840 1/20 0.57
▸ CACNA1H O95180 1/20 0.57
▸ APP P05067 1/20 0.57
▸ FABP1 P07148 1/20 0.57
▸ CHRM2 P08172 1/20 0.57

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
SCHEMBL31139194 1.00 ACHE (0.57) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL31139198 0.97 BCHE (0.57) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL31139216 0.90 ACHE (0.56) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL28449689 0.90 ACHE (0.56) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL31139207 0.87 ACHE (0.56) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL5487150 0.87 ACHE (0.55) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL28422819 0.86 ACHE (0.55) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL4879677 0.84 ACHE (0.59) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL9633896 0.83 ALDH1A1 (0.56) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL22470553 0.82 BCHE (0.50) ACHEBCHEALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-103864759-A Tacrine- nicotinic acid conjugate, preparation method and medical application thereof UNIV CHINA PHARMA 2014-06-18 — — CN disclosed
CN-101146800-A Organic compounds for the treatment of alzheimer's disease, their use and process for their preparation UNIV BOLOGNA ALMA MATER (IT) 2008-03-19 — — CN 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
EP-1853594-A2 ORGANIC COMPOUNDS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE, THEIR USE AND METHOD OF PREPARATION Alma Mater Studiorum -Universita' di Bologna (IT) 2007-11-14 — — EP 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
WO-2006080043-A2 ORGANIC COMPOUNDS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE, THEIR USE AND METHOD OF PREPARATION ALMA MATER STUDIORUM- UNIVERSITA' DI BOLOGNA (IT) 2006-08-03 — — WO 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-20070219241-A1 Organic Compounds Useful For The Treatment Of Alzheimer's Disease, Their Use And Method Of Preparation OTC, PSEN2, PSEN1 ACHE 5/4885BCHE 7/4885ALDH1A1 159/4885
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 7/4885ALDH1A1 159/4885

“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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