SCHEMBL2533929

SCHEMBL2533929

NCCc1cn(OC(=O)C(=O)On2cc(CCN)c3ccc(-c4ccccc4)cc32)c2cc(-c3ccccc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.40
HTR2A P28223 1/20 0.40
EGFR P00533 1/20 0.39
IGF1R P08069 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
SERPINE1 P05121 2/20 0.39
SCN9A Q15858 1/20 0.38
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
GPR17 Q13304 1/20 0.38
METTL3 Q86U44 2/20 0.37
METTL14 Q9HCE5 2/20 0.37
NR1D1 P20393 1/20 0.37
COMT P21964 1/20 0.36
PIM1 P11309 1/20 0.36
IRAK1 P51617 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36

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
SCHEMBL2539799 0.81 HTR6 (0.41) HTR6HTR2ASCN9AAKR1A1AKR1B1
SCHEMBL2534426 0.78 CAMK2D (0.39) HTR6HTR2AEGFRIGF1RFLT4
SCHEMBL2539667 0.76 SCN9A (0.50) HTR6EGFRIGF1RFLT4KDR
SCHEMBL28638911 0.73 HTR2A (0.49) HTR6HTR2ASCN9A
SCHEMBL25345505 0.72 HTR2A (0.55) HTR6HTR2ASCN9A
SCHEMBL4776240 0.72 HTR2A (0.48) HTR6HTR2ASCN9A
SCHEMBL24144015 0.71 NR1D1 (0.63) NR1D1
SCHEMBL2540170 0.70 TAAR1 (0.42) HTR6HTR2A
SCHEMBL2535943 0.70 HTR1D (0.44) HTR6HTR2A
SCHEMBL3865396 0.69 HTR2A (0.51) HTR6HTR2ASCN9A

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 8 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

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 HTR6 1/4885HTR2A 5/4885EGFR 946/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR6 1/4885HTR2A 5/4885EGFR 946/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR6 1/4885HTR2A 5/4885EGFR 946/4885

“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.