SCHEMBL2539769

SCHEMBL2539769

O=[N+]([O-])CCc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA7 P36544 1/20 0.57
CHRNA4 P43681 1/20 0.57
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
HTR2A P28223 4/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
CYP2A6 P11509 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
HTR1A P08908 3/20 0.44
CDK2 P24941 3/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SLC6A4 P31645 2/20 0.42
HTR2C P28335 2/20 0.40
PTPRA P18433 1/20 0.40
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL763949 0.88 HTR2A (0.61) CHRNB2CHRNA7CHRNA4PKMPKLR
SCHEMBL14500078 0.82 HTR2A (0.61) PKMPKLRHTR2ATRPM8GPR84
SCHEMBL28370629 0.82 GPR84 (0.59) PKMPKLRHTR2ATRPM8GPR84
SCHEMBL9749879 0.79 HTR6 (0.39) CHRNB2CHRNA7CHRNA4PKMPKLR
SCHEMBL2533043 0.79 PKM (0.47) PKMPKLRHTR2ACDK2SLC6A4
SCHEMBL30487719 0.79 PKM (0.47) PKMPKLRHTR2ACDK2SLC6A4
SCHEMBL28370586 0.79 HTR2A (0.64) HTR2ATRPM8GPR84HTR1AMTNR1A
SCHEMBL2536476 0.79 PKM (0.47) CHRNB2CHRNA7CHRNA4PKMPKLR
SCHEMBL30995725 0.78 PKM (0.62) PKMPKLRHTR2ATRPM8CYP2A6
SCHEMBL2187283 0.78 PKM (0.62) PKMPKLRHTR2ATRPM8CYP2A6

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 CHRNB2 147/4885CHRNA7 117/4885CHRNA4 120/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CHRNB2 147/4885CHRNA7 117/4885CHRNA4 120/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CHRNB2 147/4885CHRNA7 117/4885CHRNA4 120/4885

“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.