SCHEMBL2535362

SCHEMBL2535362

NC(=O)C(=O)c1c[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
IGF1R P08069 1/20 0.47
MET P08581 1/20 0.47
SRC P12931 1/20 0.47
ICMT O60725 1/20 0.45
KIF11 P52732 2/20 0.44
MAP2K4 P45985 1/20 0.44
IDO1 P14902 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
CES2 O00748 2/20 0.41
STING1 Q86WV6 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL1465827 0.84 ALDH1A1 (0.68) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL16619064 0.82 PBRM1 (0.54) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL6030740 0.82 MEN1 (0.48) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL24143313 0.81 MEN1 (0.52) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL21366320 0.80 KDM4E (0.59) ALDH1A1HPGDKMT2AF7F3
SCHEMBL27532481 0.79 MEN1 (0.51) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL462496 0.79 NPSR1 (0.47) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL17026963 0.78 KMT2A (0.50) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL17026903 0.78 SMN1; SMN2 (0.52) ALDH1A1MEN1CYP1A2HPGDALOX12
SCHEMBL1466529 0.78 NR4A2 (0.65) ALDH1A1MEN1CYP1A2HPGDALOX12

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 ALDH1A1 1218/4885MEN1 1889/4885CYP1A2 530/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885MEN1 1889/4885CYP1A2 530/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885MEN1 1889/4885CYP1A2 530/4885

“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.