SCHEMBL2533041

SCHEMBL2533041

O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
MAPT P10636 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
LMNA P02545 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
HTT P42858 1/20 0.58
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.56
PKLR P30613 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 3/20 0.53
NQO2 P16083 1/20 0.53
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL2531516 0.81 GAA (1.00) GAAMAPTMEN1KMT2ANPC1
SCHEMBL2535334 0.81 GAA (0.73) GAAMAPTMEN1KMT2ANPC1
SCHEMBL8913853 0.81 GAA (0.73) GAAMAPTMEN1KMT2ANPC1
SCHEMBL650217 0.81 MAPT (0.86) GAAMAPTMEN1KMT2ANPC1
SCHEMBL735125 0.80 MAPT (1.00) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10523327 0.79 MAPT (0.69) GAAMAPTMEN1KMT2ANPC1
SCHEMBL10554348 0.79 GAA (0.70) GAAMAPTMEN1KMT2ANPC1
SCHEMBL7008593 0.78 NQO2 (0.66) MAPTMEN1KMT2APKMPKLR
SCHEMBL11350274 0.78 NPC1 (0.79) GAAMAPTMEN1KMT2ANPC1
SCHEMBL9828298 0.78 GAA (0.69) GAAMAPTMEN1KMT2ANPC1

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 12 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
US-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects PINTOR JESUS J (ES) 2004-10-07 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
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-03-28 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 (5 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-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects MTNR1A, MTNR1B, MC5R GAA 3584/4885MAPT 1007/4885MEN1 388/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B GAA 4200/4885MAPT 3701/4885MEN1 1889/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B GAA 4200/4885MAPT 3701/4885MEN1 1889/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R GAA 4051/4885MAPT 987/4885MEN1 514/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B GAA 4200/4885MAPT 3701/4885MEN1 1889/4885

“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.