SCHEMBL2183297

SCHEMBL2183297

COc1cc(NC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 1.00
PSEN2 P49810 9/20 1.00
APH1B Q8WW43 9/20 1.00
NCSTN Q92542 9/20 1.00
APH1A Q96BI3 9/20 1.00
PSENEN Q9NZ42 9/20 1.00
NR2E1 Q9Y466 10/20 0.57
KCNH2 Q12809 2/20 0.55
CYP2D6 P10635 1/20 0.52
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12411656 0.95 PSEN1 (0.91) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8818024 0.83 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9260430 0.83 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9266733 0.82 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8819368 0.81 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3316422 0.81 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4456548 0.79 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8818205 0.78 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4107745 0.77 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3038471 0.77 PSEN1 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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 (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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 8/4885

“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.