SCHEMBL2532959

SCHEMBL2532959

Cc1ccc(Sc2cccc(C3OCCO3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.50
RAB9A P51151 2/20 0.41
MGLL Q99685 2/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2C P28335 2/20 0.33
HTR6 P50406 2/20 0.33
ICAM1 P05362 3/20 0.33
SELE P16581 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33

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
SCHEMBL1680858 0.87 MEN1 (0.40) SLC5A2RAB9ABCL2MCL1NPC1
SCHEMBL17860605 0.78 RAB9A (0.45) RAB9ANPC1ATMMEN1MAPT
SCHEMBL13818128 0.76 HTR2C (0.47) RAB9ANPC1MEN1KMT2ACYP2C19
SCHEMBL31351862 0.75 MCL1 (0.47) SLC5A2RAB9ABCL2MCL1NPC1
SCHEMBL1106845 0.74 CHRM2 (0.44) MEN1KMT2ACYP2C19HTR2CCHRM2
SCHEMBL20546781 0.72 SLC5A2 (0.50) SLC5A2RAB9AMEN1MAPTKMT2A
SCHEMBL822376 0.72 ACHE (0.48) SLC5A2MGLLBCL2MCL1MEN1
SCHEMBL31038384 0.72 ACHE (0.48) SLC5A2MGLLBCL2MCL1MEN1
SCHEMBL8363106 0.71 RAB9A (0.50) RAB9AMEN1MAPTKMT2ACYP2C19
SCHEMBL23639394 0.70 NR1H2 (0.45) RAB9ABCL2MCL1NPC1MEN1

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 SLC5A2 806/4885RAB9A 3102/4885MGLL 2762/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B SLC5A2 806/4885RAB9A 3102/4885MGLL 2762/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B SLC5A2 806/4885RAB9A 3102/4885MGLL 2762/4885

“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.