SCHEMBL2533737

SCHEMBL2533737

CCOC(=O)c1ccc2c(CCN)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
HTR2A P28223 4/20 0.58
IMPDH2 P12268 1/20 0.57
HTR1D P28221 4/20 0.55
HTR1A P08908 4/20 0.55
HTR1B P28222 4/20 0.55
HTR2C P28335 3/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTR7 P34969 3/20 0.53
HSD17B10 Q99714 2/20 0.53
HTR5A P47898 2/20 0.53
HTR6 P50406 2/20 0.53
CYP1A2 P05177 2/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.48

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
SCHEMBL2539785 0.90 HTR1A (0.70) HTR2AHTR1DHTR1AHTR1BHTR2C
Hydrochloric Acid SCHEMBL8806461 0.89 HTR1A (0.68) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL273252 0.87 NPC1 (0.78) NPC1HTR2AHTR1DHTR1AHTR1B
SCHEMBL9093937 0.85 NPC1 (0.57) NPC1IMPDH2MEN1KMT2AHSD17B10
SCHEMBL2535514 0.83 NPC1 (0.55) NPC1IMPDH2MEN1KMT2AHSD17B10
SCHEMBL18705733 0.82 IMPDH2 (0.59) NPC1IMPDH2MEN1KMT2AHSD17B10
SCHEMBL9461248 0.81 HTR1A (0.58) HTR2AHTR1DHTR1AHTR1BHTR2C
SCHEMBL12209328 0.81 IMPDH2 (0.64) NPC1IMPDH2MEN1KMT2AHSD17B10
SCHEMBL11366910 0.81 HTR7 (0.78) NPC1HTR2AHTR1DHTR1AHTR1B
SCHEMBL6421158 0.80 IMPDH2 (0.63) NPC1IMPDH2MEN1KMT2AHSD17B10

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 NPC1 2564/4885HTR2A 5/4885IMPDH2 1292/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B NPC1 2564/4885HTR2A 5/4885IMPDH2 1292/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B NPC1 2564/4885HTR2A 5/4885IMPDH2 1292/4885

“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.