SCHEMBL2537404

SCHEMBL2537404

O=[N+]([O-])C=Cc1c[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.57
MAOB P27338 8/20 0.57
TLR4 O00206 6/20 0.57
TLR2 O60603 6/20 0.57
IMPDH2 P12268 1/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MDH2 P40926 1/20 0.53
CTSV O60911 3/20 0.48
CTSL P07711 3/20 0.48
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL2537403 1.00 MAOA (0.57) MAOAMAOBTLR4TLR2IMPDH2
SCHEMBL5148252 0.83 TLR4 (0.55) TLR4TLR2ALDH1A1MAPTKDM4E
SCHEMBL5148253 0.83 TLR4 (0.55) TLR4TLR2ALDH1A1MAPTKDM4E
SCHEMBL15323162 0.82 ALDH1A1 (0.62) IMPDH2HPGDSMN1; SMN2ALDH1A1MDH2
SCHEMBL15323159 0.82 ALDH1A1 (0.62) IMPDH2HPGDSMN1; SMN2ALDH1A1MDH2
SCHEMBL29951517 0.82 IMPDH2 (0.61) MAOAMAOBIMPDH2HPGDSMN1; SMN2
SCHEMBL1418239 0.82 IMPDH2 (0.61) MAOAMAOBIMPDH2HPGDSMN1; SMN2
SCHEMBL2536633 0.79 MAPT (0.63) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL2536634 0.79 MAPT (0.63) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL29637948 0.79 MAPT (0.63) MAOAMAOBALDH1A1MAPTNPC1

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.