SCHEMBL5492773

SCHEMBL5492773

NC(=O)C1CCc2c(nc3cc(Cl)ccc3c2N)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.56
BCHE P06276 7/20 0.56
CHRM1 P11229 1/20 0.56
EPHX2 P34913 1/20 0.56
SIRT1 Q96EB6 1/20 0.51
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44

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
SCHEMBL5487183 0.78 ACHE (0.59) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL7375703 0.74 POLB (0.47) ACHEBCHECHRM1EPHX2KMT2A
SCHEMBL4271238 0.73 ACHE (1.00) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL5682854 0.73 ACHE (0.94) ACHEBCHECHRM1EPHX2GRIN1
SCHEMBL14341607 0.71 ACHE (0.63) ACHEBCHECHRM1EPHX2
SCHEMBL7380828 0.71 HTT (0.45) ACHEBCHECHRM1EPHX2KMT2A
SCHEMBL5479586 0.70 ACHE (0.81) ACHEBCHECHRM1EPHX2
SCHEMBL9654428 0.68 ACHE (0.67) ACHEBCHECHRM1EPHX2
SCHEMBL11680018 0.68 SIRT1 (1.00) SIRT1SMN1; SMN2
SCHEMBL29958561 0.67 SIRT1 (0.52) EPHX2SIRT1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 7/4885CHRM1 267/4885
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 7/4885CHRM1 267/4885

“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.