SCHEMBL2536092

SCHEMBL2536092

CCCCOc1ccc2c(CCNC(=O)OC(C)(C)C)c[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.55
MTNR1B P49286 6/20 0.55
LTA4H P09960 1/20 0.52
PLA2G2A P14555 1/20 0.52
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL2538065 0.92 MTNR1A (0.57) MTNR1AMTNR1BLTA4HPLA2G2AMAPT
SCHEMBL14907343 0.89 HTR1A (0.66) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL14907340 0.89 HTR1A (0.66) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8626639 0.88 HTR1A (0.59) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL24913482 0.85 MTNR1A (0.53) MTNR1AMTNR1BLTA4HPLA2G2AMAPT
SCHEMBL2532851 0.85 TRPM8 (0.66) MTNR1AMTNR1BLTA4HPLA2G2AMAPT
SCHEMBL6614891 0.84 TRPM8 (0.56) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8880324 0.84 MTNR1A (0.60) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL8624581 0.83 MTNR1A (0.57) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A
SCHEMBL14961084 0.83 TRPM8 (0.63) MTNR1AMTNR1BLTA4HPLA2G2AHTR1A

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 MTNR1A 90/4885MTNR1B 59/4885LTA4H 820/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MTNR1A 90/4885MTNR1B 59/4885LTA4H 820/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MTNR1A 90/4885MTNR1B 59/4885LTA4H 820/4885

“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.