SCHEMBL2537557

SCHEMBL2537557

O=Cc1c[nH]c2cc(Oc3ccccc3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MAPT P10636 1/20 0.66
CYP2A6 P11509 2/20 0.56
IMPDH2 P12268 1/20 0.56
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.45
CHEK1 O14757 1/20 0.44
FGFR1 P11362 1/20 0.44
KDR P35968 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
RHEB Q15382 1/20 0.43

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
SCHEMBL9023213 0.88 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTCYP2A6IMPDH2
SCHEMBL29951517 0.80 IMPDH2 (0.61) ALDH1A1KDM4EMAPTCYP2A6IMPDH2
SCHEMBL1418239 0.80 IMPDH2 (0.61) ALDH1A1KDM4EMAPTCYP2A6IMPDH2
SCHEMBL5148253 0.80 TLR4 (0.55) ALDH1A1KDM4EMAPTTRPM8CHEK1
SCHEMBL5148252 0.80 TLR4 (0.55) ALDH1A1KDM4EMAPTTRPM8CHEK1
SCHEMBL671759 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP2A6IMPDH2
SCHEMBL29954469 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP2A6IMPDH2
SCHEMBL2535062 0.76 CYP2A6 (0.61) ALDH1A1KDM4EMAPTCYP2A6IMPDH2
SCHEMBL2539684 0.76 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTCYP2A6IMPDH2
SCHEMBL29957922 0.76 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTCYP2A6IMPDH2

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-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
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN 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 1218/4885KDM4E 1970/4885MAPT 3701/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885KDM4E 1970/4885MAPT 3701/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885KDM4E 1970/4885MAPT 3701/4885

“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.