SCHEMBL2534429

SCHEMBL2534429

NCCc1cn(OC(=O)C(=O)On2cc(CCN)c3c(F)cccc32)c2cccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HTR6 P50406 4/20 0.34
HMGB1 P09429 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MPO P05164 1/20 0.33
SLC6A4 P31645 1/20 0.33
CNR1 P21554 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CHRM1 P11229 1/20 0.32
ICMT O60725 1/20 0.31
SCN9A Q15858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NOD2 Q9HC29 1/20 0.31

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
SCHEMBL2533946 0.85 MCL1 (0.41) HTR2ATAAR1HTR6
SCHEMBL2535898 0.78 HTR2A (0.40) HTR2ATAAR1HTR6HMGB1ALDH1A1
SCHEMBL2539799 0.74 HTR6 (0.41) HTR2AHTR6MPOICMTSCN9A
SCHEMBL2535524 0.73 HTR2A (0.34) HTR2ATAAR1
SCHEMBL2540170 0.69 TAAR1 (0.42) HTR2ATAAR1HTR6
SCHEMBL2533929 0.69 HTR6 (0.40) HTR2AHTR6SCN9A
SCHEMBL2534426 0.69 CAMK2D (0.39) HTR2ATAAR1HTR6SCN9A
SCHEMBL25345505 0.68 HTR2A (0.55) HTR2AHTR6SCN9A
SCHEMBL4776240 0.68 HTR2A (0.48) HTR2AHTR6SCN9A
SCHEMBL2540215 0.67 ADRB2 (0.47) HTR6

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 HTR2A 5/4885TAAR1 36/4885HTR6 1/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885TAAR1 36/4885HTR6 1/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885TAAR1 36/4885HTR6 1/4885

“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.