SCHEMBL2541206

SCHEMBL2541206

N#Cc1cccc2c(/C=C/[N+](=O)[O-])c[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
RXRA P19793 1/20 0.46
FBP1 P09467 4/20 0.43
DYRK1A Q13627 5/20 0.40
GSK3B P49841 2/20 0.38
NFATC1 O95644 1/20 0.38
SLC6A4 P31645 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
PRMT1 Q99873 1/20 0.36
HSP90AA1 P07900 2/20 0.36

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
SCHEMBL2541208 1.00 MAPT (0.48) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL19651761 0.79 DNA2 (0.50) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL2537021 0.79 RXRA (0.49) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL2537020 0.79 RXRA (0.49) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL2539641 0.79 HSP90AA1 (0.53) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL2539642 0.79 HSP90AA1 (0.53) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL1420660 0.78 TRIM24 (0.58) DYRK1AGSK3BNFATC1SLC6A4TRIM24
SCHEMBL4369086 0.78 PARP1 (0.46) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4369090 0.78 PARP1 (0.46) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL2537636 0.76 PRMT1 (0.58) MAPTALDH1A1NPSR1LMNAHPGD

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 MAPT 3701/4885ALDH1A1 1218/4885NPSR1 28/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAPT 3701/4885ALDH1A1 1218/4885NPSR1 28/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAPT 3701/4885ALDH1A1 1218/4885NPSR1 28/4885

“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.