SCHEMBL2540007

SCHEMBL2540007

CCOC(=O)c1ccc2c(CCNCc3ccccc3OCC(F)(F)C(F)F)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HTR7 P34969 1/20 0.53
▸ HTR6 P50406 1/20 0.53
▸ MAPT P10636 5/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ RIN1 Q13671 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MPO P05164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ OPRM1 P35372 1/20 0.41

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
SCHEMBL5947509 0.86 HTR6 (0.71) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL2540009 0.80 NPC1 (0.43) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL5947226 0.79 HTR2A (0.64) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL5947388 0.77 HTR6 (0.58) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL2537384 0.74 HTR6 (0.77) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL5947635 0.70 HTR2A (0.52) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL5947206 0.70 HTR2A (0.82) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL9093937 0.69 NPC1 (0.57) MAPTALDH1A1MAPK1POLBKMT2A
SCHEMBL2533737 0.69 NPC1 (0.60) HTR1AHTR2AHTR2CHTR7HTR6
Idalopirdine SCHEMBL762762 0.69 HTR6 (1.00) HTR1ADRD2HTR2AHTR2CHTR7

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 HTR1A 6/4885DRD2 35/4885HTR2A 5/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR1A 6/4885DRD2 35/4885HTR2A 5/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR1A 6/4885DRD2 35/4885HTR2A 5/4885

“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.

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