SCHEMBL1638877

SCHEMBL1638877

Oc1[c]cc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
EPHX2 P34913 1/20 0.40
GPR3 P46089 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL621805 0.77 GPR3 (0.38) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL900873 0.77 GPR3 (0.38) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL1067406 0.75 GPR3 (0.37) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL687276 0.75 SCN5A (0.38) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL16953144 0.75 GPR3 (0.37) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL158565 0.75 GPR3 (0.37) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL457425 0.75 GPR3 (0.37) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL193403 0.75 GPR3 (0.39) MAPTEPHX2GPR3L3MBTL1KMT2A
SCHEMBL5183831 0.75 MAPT (0.37) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL17046271 0.72 TRPV1 (0.36) MAPTEPHX2GPR3L3MBTL1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US claimed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP claimed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
CN-102757417-A Deuterated benzopyran compound and application thereof GUANGZHOU INST BIOMED & HEALTH 2012-10-31 CN disclosed
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS ACUMEN PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
EP-2194975-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-ß DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUNDS Acumen Pharmaceuticals, Inc. (US) 2010-06-16 EP disclosed
WO-2009009768-A2 METHODS OF INHIBITING THE FORMATION OF AMYLOID-β DIFFUSABLE LIGANDS USING A ACYLHYDRAZIDE COMPOUDS ACUMEN PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US disclosed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 EP 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-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 MAPT 1324/4885EPHX2 514/4885GPR3 335/4885
US-20110098309-A1 METHODS OF INHIBITING THE FORMATION OF AMYLOID-BETA DIFFUSABLE LIGANDS USING ACYLHYDRAZIDE COMPOUNDS APP, APBA1, BACE1 MAPT 85/4885EPHX2 4088/4885GPR3 2825/4885

“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.