SCHEMBL5215236

SCHEMBL5215236

CC(NCCC(C)(C)C)c1cnc(N)o1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL5212530 0.81 CYP1A2 (0.34)
Hydrochloric Acid SCHEMBL6105110 0.79 CYP3A4 (0.33)
SCHEMBL5215225 0.79 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5213549 0.77 AKT1 (0.30)
SCHEMBL5785799 0.72 HRH4 (0.30)
SCHEMBL5875542 0.71 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5131540 0.71 KDM4E (0.38)
SCHEMBL6265277 0.70 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6265276 0.70 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6265270 0.70 PSEN1 (0.40) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653952-A4 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2007-04-04 EP claimed
US-7112599-B2 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2006-09-26 US claimed
EP-1653952-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005016267-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-02-24 WO claimed
US-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2005-02-10 US claimed
EP-1653952-A4 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2007-04-04 EP disclosed
US-7112599-B2 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2006-09-26 US disclosed
EP-1653952-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005016267-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-02-24 WO disclosed
US-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2005-02-10 US 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-20050032859-A1 Oxazole compounds for the treatment of neurodegenerative disorders APP, OXA1L, BACE1 NUDT1 2979/4885PSEN1 4/4885PSEN2 8/4885

“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.