SCHEMBL1795455

SCHEMBL1795455

COC(=O)CC(C)(C)n1cnc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.43
PSEN2 P49810 5/20 0.43
APH1B Q8WW43 5/20 0.43
NCSTN Q92542 5/20 0.43
APH1A Q96BI3 5/20 0.43
PSENEN Q9NZ42 5/20 0.43
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 3/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL5665621 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1799285 0.78 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1798510 0.77 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27976558 0.77 ALDH1A1 (0.32) LMNAALDH1A1
SCHEMBL1798458 0.76 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1798149 0.76 NUDT1 (0.32)
SCHEMBL1799569 0.73 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2822352 0.72 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1800598 0.71 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1795285 0.70 PSEN1 (0.38) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1934091-B imidazole compounds for the treatment of neurodegenerative disorders PFIZER PRODUCTS INC. (US) 2012-02-08 CN disclosed
US-7951958-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2011-05-31 US disclosed
US-7795447-B2 4-(Acylaminoacetylamino)imidazole derivatives, e.g., methyl 3-(4-{2-[2-(3,5-Difluorophenyl)acetylamino]pentanoylamino}imidazol-1-yl)butyrate; treating neurodegenerative and/or neurological disorders such as Alzheimer's disease and Down's Syndrome PFIZER INC (US) 2010-09-14 US disclosed
US-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC (US) 2010-07-01 US disclosed
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-09-18 US disclosed
EP-1730119-B1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-06-25 EP disclosed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US disclosed
CN-1934091-A Imidazole compounds for the treatment of neurodegenerative disorders PFIZER (US) 2007-03-21 CN 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-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 PSEN1 2/4885PSEN2 3/4885APH1B 45/4885
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 PSEN1 2/4885PSEN2 3/4885APH1B 45/4885

“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.