SCHEMBL2536090

SCHEMBL2536090

CCOC(=O)c1ccc2[nH]cc(CC[N+](=O)[O-])c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HSD17B10 Q99714 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HCRTR1 O43613 2/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
RAB9A P51151 2/20 0.48
GPR84 Q9NQS5 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR7 P34969 2/20 0.46
CYP1A2 P05177 2/20 0.46

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
SCHEMBL2535514 0.91 NPC1 (0.55) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL2533137 0.88 GPR84 (0.61) MEN1KMT2AHSD17B10ALDH1A1L3MBTL1
SCHEMBL27650006 0.84 HSD17B10 (0.66) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL27406020 0.83 HSD17B10 (0.59) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL2539785 0.83 HTR1A (0.70) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL3351580 0.83 HSD17B10 (0.59) MEN1KMT2AHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8806461 0.82 HTR1A (0.68) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL4360096 0.82 HSD17B10 (0.58) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL8785079 0.81 HTR1D (0.62) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL9259542 0.81 HSD17B10 (0.57) MEN1KMT2AHSD17B10ALDH1A1HPGD

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 MEN1 1889/4885KMT2A 1269/4885HSD17B10 2761/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MEN1 1889/4885KMT2A 1269/4885HSD17B10 2761/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MEN1 1889/4885KMT2A 1269/4885HSD17B10 2761/4885

“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.