SCHEMBL2540560

SCHEMBL2540560

COc1cc2c(CCN)c[nH]c2cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
NFKB1 P19838 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MTNR1A P48039 2/20 0.63
MTNR1B P49286 2/20 0.63
HTR2B P41595 2/20 0.63
LMNA P02545 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
MAPK1 P28482 1/20 0.63
SLC6A4 P31645 1/20 0.63
CYP2C19 P33261 1/20 0.63
THPO P40225 1/20 0.63
HIF1A Q16665 1/20 0.63
TAAR1 Q96RJ0 1/20 0.58
HTR2A P28223 7/20 0.57
HTR1D P28221 5/20 0.57
HTR1A P08908 4/20 0.57

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
SCHEMBL7850885 0.88 HTR2A (0.63) CYP1A2NFKB1MEN1KMT2AMTNR1A
Hydrochloric Acid SCHEMBL7683721 0.86 NPSR1 (0.64) CYP1A2NFKB1MEN1KMT2AMTNR1A
SCHEMBL17211933 0.86 HTR2A (0.51) CYP1A2NFKB1MEN1KMT2AMTNR1A
SCHEMBL2534666 0.84 HTR1A (0.72) CYP1A2NFKB1MEN1KMT2AMTNR1A
SCHEMBL30022336 0.82 HTR2A (0.65) CYP1A2NFKB1KMT2AHTR2BCYP3A4
SCHEMBL7843782 0.82 HTR2A (0.65) CYP1A2NFKB1KMT2AHTR2BCYP3A4
SCHEMBL31236315 0.82 HTR2A (0.57) CYP1A2NFKB1MEN1KMT2AMTNR1A
SCHEMBL12067610 0.82 CYP1A2 (0.64) CYP1A2NFKB1MEN1KMT2AMTNR1A
Hydrochloric Acid SCHEMBL7681061 0.81 HTR2A (0.63) CYP1A2NFKB1MEN1KMT2AHTR2B
SCHEMBL28831089 0.81 HTR2A (0.58) CYP1A2NFKB1MEN1KMT2AMTNR1A

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 17 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
EP-0527687-B1 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-11-22 EP disclosed
US-5380750-A Arylethylamine compounds ADIR ET COMPAGNIE (FR) 1995-01-10 US disclosed
US-5308866-A Treatment of melatonin related disorders, sleep disorders, psychological disorders ADIR ET COMPAGNIE (FR) 1994-05-03 US disclosed
US-5276051-A Treatment of melatoninergic system, antiischemic agents and skin disorders using aminoalkylindole compounds ADIR ET COMPAGNIE (FR) 1994-01-04 US disclosed
EP-0527687-A2 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-17 EP disclosed
US-4087444-A Amides as ovulation inhibitors ELI LILLY AND COMPANY (US) 1978-05-02 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 (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 CYP1A2 530/4885NFKB1 3646/4885MEN1 1889/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CYP1A2 530/4885NFKB1 3646/4885MEN1 1889/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CYP1A2 530/4885NFKB1 3646/4885MEN1 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.