SCHEMBL2824402

SCHEMBL2824402

CCCC(NC1CCc2cc(Br)ccc2C1)C(=O)O

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
FPR2 P25090 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ACE P12821 2/20 0.42
FAAH O00519 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
ACHE P22303 2/20 0.39
HDAC8 Q9BY41 2/20 0.38

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
SCHEMBL4737362 1.00 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5119350 0.87 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5119348 0.87 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2819659 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5120537 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5121719 0.86 HTR1D (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2819567 0.86 HTR1D (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5120532 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5121715 0.86 HTR1D (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2819215 0.85 PSEN1 (0.42) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958939-A2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders Pfizer Products Inc. (US) 2008-08-20 EP claimed
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP claimed
EP-1730119-B1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-06-25 EP claimed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US claimed
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-15 US claimed
US-7244757-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-17 US claimed
EP-1730119-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-13 EP claimed
WO-2005092864-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-06 WO claimed
US-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
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-7468386-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-12-23 US disclosed
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-09-18 US disclosed
EP-1958939-A2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders Pfizer Products Inc. (US) 2008-08-20 EP disclosed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US disclosed
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-15 US disclosed
US-7244757-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-17 US disclosed
EP-1730119-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-13 EP disclosed
WO-2005092864-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-06 WO disclosed
US-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 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 (4 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-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders APP, PRNP, BACE1 PSEN1 4/4885PSEN2 7/4885APH1B 21/4885
US-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 PSEN1 2/4885PSEN2 3/4885APH1B 45/4885
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PRNP, BACE1 PSEN1 4/4885PSEN2 7/4885APH1B 21/4885
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.