SCHEMBL2541508

SCHEMBL2541508

COc1ccc2[nH]cc(CCN)c2c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.65
HTR1A P08908 4/20 0.50
HTR2C P28335 3/20 0.50
HTR1D P28221 3/20 0.50
TRPM8 Q7Z2W7 2/20 0.50
HTR6 P50406 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 1/20 0.50
HTR4 Q13639 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
ADRA1A P35348 1/20 0.43

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
Oxalic Acid SCHEMBL8549166 0.92 HTR2A (0.56) HTR2AHTR1AHTR2CHTR1DTRPM8
Fumaric Acid SCHEMBL8549920 0.89 HTR2A (0.53) HTR2AHTR1AHTR2CHTR1DTRPM8
Fumaric Acid SCHEMBL8549914 0.89 HTR2A (0.53) HTR2AHTR1AHTR2CHTR1DTRPM8
SCHEMBL8546978 0.85 HTR2A (0.50) HTR2AHTR1AHTR2CHTR1DTRPM8
SCHEMBL8544722 0.84 HTR2A (0.53) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL1971484 0.84 HTR2A (0.67) HTR2AHTR1AHTR2CHTR1DTRPM8
SCHEMBL3210741 0.84 HTR2A (0.67) HTR2AHTR1AHTR2CHTR1DTRPM8
SCHEMBL8543442 0.83 HTR1A (0.54) HTR2AHTR1AHTR2CHTR1DTRPM8
SCHEMBL8543450 0.83 HTR1A (0.71) HTR2AHTR1AHTR2CHTR1DHTR6
SCHEMBL7854823 0.81 HTR2A (0.56) HTR2AHTR1AHTR2CHTR1DTRPM8

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593513-B1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1998-10-28 EP claimed
US-5571833-A TREATMENT OF MIGRAINE, PORTAL HYPERTENSION SMITHKLINE BEECHAM PLC (GB) 1996-11-05 US claimed
EP-0593513-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1994-04-27 EP claimed
WO-1993000333-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO claimed
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-0593513-B1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1998-10-28 EP disclosed
US-5571833-A TREATMENT OF MIGRAINE, PORTAL HYPERTENSION SMITHKLINE BEECHAM PLC (GB) 1996-11-05 US disclosed
EP-0593513-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1994-04-27 EP disclosed
WO-1993000333-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 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 HTR2A 5/4885HTR1A 6/4885HTR2C 2/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885HTR1A 6/4885HTR2C 2/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2A 5/4885HTR1A 6/4885HTR2C 2/4885

“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.