SCHEMBL1845013

SCHEMBL1845013

C=C(C)CC(C(=O)OC)c1cc(-c2ccc(C(F)(F)F)cc2)nc(N(CC(C)C)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHB P07195 8/20 0.39
LDHA P00338 7/20 0.39
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
SCN9A Q15858 2/20 0.35
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTC4S Q16873 1/20 0.32
PDE2A O00408 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL12646811 0.95 LDHB (0.36) LDHBLDHAPSEN1PSEN2APH1B
SCHEMBL1842450 0.89 PSEN1 (0.45) LDHBLDHAPSEN1PSEN2APH1B
SCHEMBL1844274 0.85 LDHB (0.46) LDHBLDHAPSEN1PSEN2APH1B
SCHEMBL12646812 0.85 PSEN1 (0.41) LDHBLDHAPSEN1PSEN2APH1B
SCHEMBL1846040 0.81 L3MBTL1 (0.43) LDHBLDHAPSEN1PSEN2APH1B
SCHEMBL1842318 0.81 LDHB (0.43) LDHBLDHAPSEN1PSEN2APH1B
SCHEMBL1846135 0.81 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1846881 0.78 LDHB (0.42) LDHBLDHAPSEN1PSEN2APH1B
SCHEMBL27839264 0.78 ADORA3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27839266 0.78 PSEN1 (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
EP-2321278-A2 PYRIDINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2011-05-18 EP disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 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-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 LDHB 4495/4885LDHA 4631/4885PSEN1 2/4885

“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.