SCHEMBL2536845

SCHEMBL2536845

N#Cc1ccc2c(/C=C/[N+](=O)[O-])c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.50
IDO1 P14902 2/20 0.43
TDO2 P48775 1/20 0.38
SLC6A4 P31645 1/20 0.37
RAD51 Q06609 1/20 0.36
CYP2A6 P11509 1/20 0.36
VCAM1 P19320 1/20 0.36
RXRA P19793 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35

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
SCHEMBL2536847 1.00 FBP1 (0.50) FBP1IDO1TDO2SLC6A4RAD51
SCHEMBL30487726 1.00 FBP1 (0.50) FBP1IDO1TDO2SLC6A4RAD51
SCHEMBL2536616 0.89 FBP1 (0.50) FBP1IDO1SLC6A4GABRPGABRD
SCHEMBL2536619 0.89 FBP1 (0.50) FBP1IDO1SLC6A4GABRPGABRD
SCHEMBL2538092 0.82 FBP1 (0.46) FBP1IDO1TDO2CYP2A6RXRA
SCHEMBL2538089 0.82 FBP1 (0.46) FBP1IDO1TDO2CYP2A6RXRA
SCHEMBL11912926 0.82 FBP1 (0.46) FBP1IDO1TDO2CYP2A6RXRA
SCHEMBL2272828 0.79 TDO2 (0.61) FBP1IDO1TDO2
SCHEMBL2536334 0.79 CYP2A6 (0.60) IDO1TDO2CYP2A6RXRA
SCHEMBL2537796 0.79 TDO2 (0.50) FBP1IDO1TDO2CYP2A6RXRA

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 10 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
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 FBP1 1595/4885IDO1 380/4885TDO2 379/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B FBP1 1595/4885IDO1 380/4885TDO2 379/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B FBP1 1595/4885IDO1 380/4885TDO2 379/4885

“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.