SCHEMBL2827429

SCHEMBL2827429

O=C1CCNCC1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
CYP2C19 P33261 1/20 0.42
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
HTR2C P28335 3/20 0.40
HTR2A P28223 1/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
LMNA P02545 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 2/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL16340018 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10796144 0.79 HTR2C (0.50) CYP2C19BCHEACHEHTR2CHTR2A
SCHEMBL1797263 0.78 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22749632 0.78 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25197523 0.76 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30927142 0.76 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1810756 0.76 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3809154 0.74 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30881334 0.74 HTR2C (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29203298 0.74 HTR2C (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PSEN1 4349/4885PSEN2 4247/4885APH1B 2203/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PSEN1 3055/4885PSEN2 3944/4885APH1B 1453/4885

“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.