SCHEMBL2533028

SCHEMBL2533028

COC(=O)c1ccc2[nH]cc(CCNCc3cccc(OCC(F)(F)F)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ HTR2A P28223 6/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ TRPV1 Q8NER1 3/20 0.50
▸ GPR84 Q9NQS5 1/20 0.48
▸ ACHE P22303 2/20 0.48
▸ BCHE P06276 1/20 0.48
▸ LTA4H P09960 2/20 0.48
▸ PLA2G2A P14555 2/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL5947754 0.93 HTR6 (0.61) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL5947635 0.92 HTR2A (0.52) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL2532835 0.91 HTR2A (0.56) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL5947731 0.87 HTR2A (0.63) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL5947960 0.86 HTR2A (0.69) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL5947954 0.85 KMT2A (0.61) KMT2AHTR2ATRPV1GPR84ACHE
SCHEMBL5947388 0.85 HTR6 (0.58) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL5148243 0.85 HTR2A (0.59) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL5947392 0.84 HTR2A (0.58) KMT2AHTR2AHTR1ADRD2HTR2C
SCHEMBL5947844 0.84 HTR2A (0.58) KMT2AHTR2AHTR1ADRD2HTR2C

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 KMT2A 1269/4885HTR2A 5/4885HTR1A 6/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B KMT2A 1269/4885HTR2A 5/4885HTR1A 6/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B KMT2A 1269/4885HTR2A 5/4885HTR1A 6/4885

“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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