SCHEMBL2544150

SCHEMBL2544150

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(N)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
CYP2C19 P33261 1/20 0.55
TRPV1 Q8NER1 2/20 0.54
MTNR1A P48039 9/20 0.54
MTNR1B P49286 7/20 0.54
NOTUM Q6P988 4/20 0.52
CYP1A2 P05177 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
BLM P54132 2/20 0.52
NQO2 P16083 2/20 0.52
SPR P35270 2/20 0.52
MAPT P10636 1/20 0.52
IDO1 P14902 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A1 P04798 1/20 0.52
MPO P05164 1/20 0.52

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
SCHEMBL397159 0.91 MTNR1A (0.52) HPGDCYP2C19TRPV1MTNR1AMTNR1B
SCHEMBL8613795 0.87 TRPV1 (0.55) HPGDTRPV1MTNR1AMTNR1BNOTUM
SCHEMBL31077788 0.87 TRPV1 (0.70) HPGDTRPV1NOTUMCYP1A2KDM4E
SCHEMBL798165 0.87 TRPV1 (0.70) HPGDTRPV1NOTUMCYP1A2KDM4E
SCHEMBL8113405 0.86 TRPV1 (0.53) HPGDTRPV1MTNR1AMTNR1BNOTUM
SCHEMBL8194888 0.86 NOTUM (0.70) TRPV1MTNR1AMTNR1BNOTUMSPR
SCHEMBL7318352 0.86 MTNR1A (0.70) HPGDTRPV1MTNR1AMTNR1BNOTUM
SCHEMBL8807970 0.85 HTR7 (0.57) HPGDTRPV1MTNR1AMTNR1BNOTUM
SCHEMBL6927448 0.85 MTNR1A (0.74) HPGDTRPV1MTNR1AMTNR1BNOTUM
SCHEMBL8806792 0.85 TRPV1 (0.53) HPGDTRPV1MTNR1AMTNR1BNOTUM

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 HPGD 1442/4885CYP2C19 438/4885TRPV1 180/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HPGD 1442/4885CYP2C19 438/4885TRPV1 180/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HPGD 1442/4885CYP2C19 438/4885TRPV1 180/4885

“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.