SCHEMBL8514732

SCHEMBL8514732

COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CC(C)(C)O)n2)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 1.00
PSEN2 P49810 20/20 1.00
APH1B Q8WW43 20/20 1.00
NCSTN Q92542 20/20 1.00
APH1A Q96BI3 20/20 1.00
PSENEN Q9NZ42 20/20 1.00
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL8511588 0.91 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8511473 0.89 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8511965 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8512916 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL956121 0.86 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL959030 0.84 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1079350 0.84 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8510879 0.82 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8509421 0.81 PSEN1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8514585 0.80 PSEN1 (0.87) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 10/4885APH1B 4/4885

“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.