SCHEMBL2533742

SCHEMBL2533742

NCCc1c[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.72
PKLR P30613 1/20 0.72
PTPRA P18433 1/20 0.61
CYP2C19 P33261 1/20 0.58
HTR2A P28223 8/20 0.57
HTR2C P28335 2/20 0.57
LTA4H P09960 1/20 0.56
PLA2G2A P14555 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MPO P05164 2/20 0.51
HTR1D P28221 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1B P28222 1/20 0.51
HTR7 P34969 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL31573277 1.00 PKM (0.72) PKMPKLRPTPRACYP2C19HTR2A
SCHEMBL31573286 0.88 LTA4H (0.65) PKMPKLRHTR2AHTR2CLTA4H
SCHEMBL1520627 0.88 LTA4H (0.65) PKMPKLRHTR2AHTR2CLTA4H
Hydrochloric Acid SCHEMBL21546050 0.87 LTA4H (0.67) PKMPKLRHTR2AHTR2CLTA4H
SCHEMBL4721788 0.85 PKM (0.72) PKMPKLRPTPRACYP2C19HTR2C
SCHEMBL11538649 0.85 PKM (0.72) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL10265469 0.83 PKM (0.69) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL9901135 0.82 PKM (0.68) PKMPKLRPTPRACYP2C19MEN1
SCHEMBL4723013 0.82 PKM (0.67) PKMPKLRPTPRACYP2C19HTR2A
Tryptamine SCHEMBL27780213 0.81 PKM (0.66) PKMPKLRHTR2AHTR2CLTA4H

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 11 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
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 PKM 3346/4885PKLR 4440/4885PTPRA 3738/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B PKM 3346/4885PKLR 4440/4885PTPRA 3738/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B PKM 3346/4885PKLR 4440/4885PTPRA 3738/4885

“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.