SCHEMBL2979802

SCHEMBL2979802

C[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)C(=O)NC2CCc3ccccc32)cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.57
PSEN2 P49810 18/20 0.57
APH1B Q8WW43 18/20 0.57
NCSTN Q92542 18/20 0.57
APH1A Q96BI3 18/20 0.57
PSENEN Q9NZ42 18/20 0.57
GSAP A4D1B5 1/20 0.55
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2979799 1.00 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8217559 0.91 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2970295 0.91 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2971382 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2968076 0.83 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2980166 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2980163 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2966397 0.81 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2966400 0.81 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2979147 0.81 PSEN1 (0.60) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US claimed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP claimed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP disclosed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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 (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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 5/4885APH1B 31/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 5/4885APH1B 31/4885

“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.