SCHEMBL2539043

SCHEMBL2539043

NCCc1c[nH]c2cc(-c3ccccc3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.63
HTR1D P28221 4/20 0.63
HTR2C P28335 3/20 0.63
HTR1B P28222 3/20 0.63
MPO P05164 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
HTR7 P34969 2/20 0.63
HTR6 P50406 2/20 0.63
TAAR1 Q96RJ0 2/20 0.63
CYP2A6 P11509 1/20 0.63
NFKB1 P19838 1/20 0.63
CTSK P43235 1/20 0.63
CYP2A13 Q16696 1/20 0.63
PMP22 Q01453 1/20 0.61
LTA4H P09960 1/20 0.56
PLA2G2A P14555 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
Oxalic Acid SCHEMBL2533927 0.93 HTR2C (0.57) HTR2AHTR1DHTR2CHTR1BMPO
SCHEMBL2536567 0.88 LTA4H (0.67) HTR2AHTR1DHTR2CHTR1BMPO
SCHEMBL24144265 0.85 HTR2A (0.57) HTR2AHTR1DHTR2CHTR1BMPO
SCHEMBL16433272 0.84 IMPDH2 (0.52) HTR2AHTR1DHTR2CHTR1BMPO
SCHEMBL20120174 0.81 GPR17 (0.56) MAPTIMPDH2
Tryptamine SCHEMBL26725 0.78 HTR2A (1.00) HTR2AHTR1DHTR2CHTR1BMPO
Tryptamine SCHEMBL8714244 0.78 HTR2A (1.00) HTR2AHTR1DHTR2CHTR1BMPO
Tryptamine SCHEMBL29373222 0.78 HTR2A (1.00) HTR2AHTR1DHTR2CHTR1BMPO
SCHEMBL2537606 0.78 TRPM8 (0.80) HTR2AHTR1DHTR2CHTR1BMPO
Tryptamine SCHEMBL22127053 0.76 HTR2A (0.96) HTR2AHTR1DHTR2CHTR1BMPO

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 HTR2A 5/4885HTR1D 16/4885HTR2C 2/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885HTR1D 16/4885HTR2C 2/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885HTR1D 16/4885HTR2C 2/4885

“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.