SCHEMBL2539610

SCHEMBL2539610

O=[N+]([O-])/C=C/c1cccc(OC(F)(F)CF)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.60
TLR4 O00206 8/20 0.58
TLR2 O60603 8/20 0.58
MAOA P21397 8/20 0.58
MAOB P27338 8/20 0.58
TERT O14746 1/20 0.53

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
SCHEMBL15054763 0.86 FBP1 (0.66) FBP1TLR4TLR2MAOAMAOB
SCHEMBL15054765 0.86 FBP1 (0.66) FBP1TLR4TLR2MAOAMAOB
SCHEMBL4619911 0.80 TLR4 (0.70) FBP1TLR4TLR2MAOAMAOB
SCHEMBL4619916 0.80 TLR4 (0.70) FBP1TLR4TLR2MAOAMAOB
SCHEMBL2539612 0.80 MAOA (0.70) FBP1TLR4TLR2MAOAMAOB
SCHEMBL11400613 0.78 MAOA (0.48) MAOAMAOB
SCHEMBL1549054 0.75 FBP1 (1.00) FBP1TLR4TLR2MAOAMAOB
SCHEMBL1549055 0.75 FBP1 (1.00) FBP1TLR4TLR2MAOAMAOB
SCHEMBL792987 0.75 FBP1 (1.00) FBP1TLR4TLR2MAOAMAOB
SCHEMBL8765211 0.75 FBP1 (1.00) FBP1TLR4TLR2MAOAMAOB

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 8 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

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 FBP1 1595/4885TLR4 2004/4885TLR2 942/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B FBP1 1595/4885TLR4 2004/4885TLR2 942/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B FBP1 1595/4885TLR4 2004/4885TLR2 942/4885

“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.