SCHEMBL8513779

SCHEMBL8513779

COc1nc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 1.00
PSEN2 P49810 3/20 1.00
APH1B Q8WW43 3/20 1.00
NCSTN Q92542 3/20 1.00
APH1A Q96BI3 3/20 1.00
PSENEN Q9NZ42 3/20 1.00
CYP2C9 P11712 2/20 1.00
CYP3A4 P08684 1/20 0.74

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
SCHEMBL8509647 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9229193 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10236670 0.98 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL721328 0.98 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10236666 0.98 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10236610 0.96 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7914890 0.96 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL721969 0.96 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL235045 0.91 CYP2C9 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7916744 0.91 CYP2C9 (0.83) 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 6 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
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 10/4885APH1B 4/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 10/4885

“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.