SCHEMBL2249043

SCHEMBL2249043

CC1N(Cc2ccccc2)C(=O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2249900 0.84 BRD4 (0.48) CACNA1GCACNA1HCACNA1I
SCHEMBL5517077 0.79 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL10053573 0.79 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL5517082 0.79 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL14209521 0.79 HTR2C (0.57) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL31114244 0.79 HTR2C (0.57) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL19271743 0.77 HTR2C (0.55) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL21872248 0.77 HTR2C (0.55) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL30523584 0.77 HTR2C (0.55) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL14880766 0.75 HTR2C (0.53) HTR2CPSEN1PSEN2APH1BNCSTN

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
EP-1951709-B1 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-07-18 EP disclosed
US-8003653-B2 Imidazolidinone compounds useful as β-secretase inhibitors for the treatment of Alzheimer's disease Merck. Sharp & Dohme Corp. (US) 2011-08-23 US disclosed
US-20090111832-A1 Imidazolidinone Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2009-04-30 US disclosed
EP-1951709-A2 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007058862-A2 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-05-24 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 (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-20090111832-A1 Imidazolidinone Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 HTR2C 4144/4885CACNA1G 2487/4885CACNA1H 2696/4885

“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.