SCHEMBL2539612

SCHEMBL2539612

O=[N+]([O-])C=Cc1cccc(OCC(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.70
MAOB P27338 10/20 0.70
TLR4 O00206 11/20 0.65
TLR2 O60603 11/20 0.65
FBP1 P09467 2/20 0.61

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
SCHEMBL4619916 0.84 TLR4 (0.70) MAOAMAOBTLR4TLR2FBP1
SCHEMBL4619911 0.84 TLR4 (0.70) MAOAMAOBTLR4TLR2FBP1
SCHEMBL15054763 0.81 FBP1 (0.66) MAOAMAOBTLR4TLR2FBP1
SCHEMBL15054765 0.81 FBP1 (0.66) MAOAMAOBTLR4TLR2FBP1
SCHEMBL1967341 0.80 TLR4 (0.67) MAOAMAOBTLR4TLR2FBP1
SCHEMBL2539610 0.80 FBP1 (0.60) MAOAMAOBTLR4TLR2FBP1
SCHEMBL1967344 0.80 TLR4 (0.67) MAOAMAOBTLR4TLR2FBP1
SCHEMBL510208 0.79 TLR4 (1.00) MAOAMAOBTLR4TLR2FBP1
SCHEMBL510207 0.79 TLR4 (1.00) MAOAMAOBTLR4TLR2FBP1
SCHEMBL510223 0.78 MAOA (1.00) MAOAMAOBTLR4TLR2

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
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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 (3 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B MAOA 75/4885MAOB 93/4885TLR4 2004/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAOA 75/4885MAOB 93/4885TLR4 2004/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAOA 75/4885MAOB 93/4885TLR4 2004/4885

“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.