SCHEMBL2539100

SCHEMBL2539100

CCC(=O)Nc1ccc2[nH]cc(C=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE10A Q9Y233 1/20 0.47
HTR1D P28221 9/20 0.46
HTR1B P28222 9/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.43
CYP2A6 P11509 1/20 0.43
IMPDH2 P12268 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42
HPGDS O60760 1/20 0.42

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
SCHEMBL18311437 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19HTR1DHTR1B
SCHEMBL6607917 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19HTR1DHTR1B
SCHEMBL28432415 0.75 POLB (0.53) ALDH1A1CYP1A2CYP2C19KDM4EHPGD
SCHEMBL3231550 0.74 CYP3A4 (0.53) ALDH1A1CYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL14211119 0.74 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19HTR1DHTR1B
SCHEMBL6825511 0.73 CYP2A6 (0.53) ALDH1A1CYP1A2CYP2C19HTR1DHTR1B
SCHEMBL5403384 0.72 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19HTR1DHTR1B
SCHEMBL31036333 0.71 ALDH1A1 (0.50) ALDH1A1HTR1DHTR1BKDM4EHPGD
SCHEMBL7481694 0.71 HTR1D (0.87) CYP1A2HTR1DHTR1BCYP3A4
SCHEMBL2161358 0.70 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C19KDM4EHPGD

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 ALDH1A1 1218/4885CYP1A2 530/4885CYP2C19 438/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885CYP1A2 530/4885CYP2C19 438/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885CYP1A2 530/4885CYP2C19 438/4885

“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.