SCHEMBL2532852

SCHEMBL2532852

COc1ccc2[nH]cc(/C=C/[N+](=O)[O-])c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.46
VCP P55072 5/20 0.45
FBP1 P09467 5/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
HSP90AA1 P07900 2/20 0.40
MITF O75030 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SYK P43405 2/20 0.39
GALR2 O43603 1/20 0.39
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2532854 1.00 PRMT1 (0.46) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL3217559 0.86 PRMT1 (0.57) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL3220554 0.86 PRMT1 (0.57) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL12083736 0.86 PRMT1 (0.57) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL23493550 0.82 PRMT1 (0.58) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL2537326 0.82 PRMT1 (0.58) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL2537322 0.82 PRMT1 (0.58) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL30418664 0.82 PRMT1 (0.58) PRMT1VCPFBP1BACE1ALDH1A1
SCHEMBL2535287 0.79 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMTNR1AMTNR1B
SCHEMBL29951874 0.79 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMTNR1AMTNR1B

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 PRMT1 2090/4885VCP 4709/4885FBP1 1595/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B PRMT1 2090/4885VCP 4709/4885FBP1 1595/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B PRMT1 2090/4885VCP 4709/4885FBP1 1595/4885

“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.