SCHEMBL2821082

SCHEMBL2821082

CCCC(NC1CCc2c(C)cc(C)cc2C1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
PPARG P37231 1/20 0.36
PYGL P06737 1/20 0.35
CYP2C9 P11712 1/20 0.35
PSEN1 P49768 12/20 0.35
PSEN2 P49810 12/20 0.35
APH1B Q8WW43 12/20 0.35
NCSTN Q92542 12/20 0.35
APH1A Q96BI3 12/20 0.35
PSENEN Q9NZ42 12/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CDK9 P50750 2/20 0.34
GSAP A4D1B5 1/20 0.34
CCNT1 O60563 1/20 0.34
ADRB3 P13945 1/20 0.33

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
SCHEMBL5119350 0.82 PSEN1 (0.43) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5119348 0.82 PSEN1 (0.43) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL26374403 0.82 PSEN1 (0.47) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5120569 0.82 ACE (0.41) ACEPPARGPSEN1PSEN2APH1B
SCHEMBL5120576 0.82 ACE (0.41) ACEPPARGPSEN1PSEN2APH1B
SCHEMBL2971477 0.81 PSEN1 (0.49) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL2822356 0.81 PSEN1 (0.49) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5126503 0.81 PSEN1 (0.49) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL4682651 0.78 ADRB3 (0.49) ACEDRD2DRD4DRD3ADRB3
SCHEMBL4682649 0.78 ADRB3 (0.49) ACEDRD2DRD4DRD3ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

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 ACE 889/4885PPARG 3599/4885PYGL 4316/4885
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 ACE 889/4885PPARG 3599/4885PYGL 4316/4885

“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.