SCHEMBL5947544

SCHEMBL5947544

COc1ccc2[nH]cc(CCNCc3cccc(OCCCC(F)(F)F)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 15/20 0.66
▸ KMT2A Q03164 2/20 0.64
▸ HTR1A P08908 3/20 0.55
▸ HTR7 P34969 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ HTR1D P28221 1/20 0.52
▸ HTR1B P28222 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52

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
SCHEMBL2538776 0.95 HTR2A (0.67) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL5947960 0.90 HTR2A (0.69) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL5947146 0.89 HTR1A (0.62) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL5947618 0.89 HTR2A (0.70) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL5947727 0.88 KMT2A (0.52) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL2542064 0.88 HTR2A (0.72) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL2539047 0.86 HTR2A (0.67) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL5947802 0.86 HTR2A (0.74) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL5947753 0.85 HTR2A (0.72) HTR2AKMT2AHTR1AHTR7HTR6
SCHEMBL5947731 0.85 HTR2A (0.63) HTR2AKMT2AHTR1AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 — — US claimed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 — — CN claimed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 — — EP claimed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 5/4885KMT2A 1269/4885HTR1A 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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