SCHEMBL3887376

SCHEMBL3887376

CN(C)CCc1c[nH]c2nccc(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 3/20 0.40
SLC6A2 P23975 2/20 0.40
NTRK1 P04629 1/20 0.40
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR6 P50406 2/20 0.36
HTR7 P34969 1/20 0.36
HTR5A P47898 1/20 0.36
CFTR P13569 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 2/20 0.36
KDR P35968 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL3889087 0.88 HTR2A (0.43) HTR1DHTR1BHTR1AHTR2ASLC6A2
SCHEMBL3889634 0.78 HTR2A (0.44) HTR1DHTR1BHTR1AHTR2ASLC6A2
SCHEMBL25248081 0.70 HTR2A (0.57) HTR1DHTR1BHTR1AHTR2AHTR6
SCHEMBL30565975 0.70 HTR2A (0.57) HTR1DHTR1BHTR1AHTR2AHTR6
SCHEMBL25292209 0.68 HTR6 (0.48) HTR1DHTR1BHTR1AHTR2AHTR6
SCHEMBL30565964 0.68 HTR6 (0.48) HTR1DHTR1BHTR1AHTR2AHTR6
SCHEMBL5658530 0.68 FGFR4 (0.39) HTR2ASLC6A2KMT2ANAMPT
SCHEMBL30565961 0.68 HTR6 (0.59) HTR1DHTR1BHTR1AHTR2AHTR6
SCHEMBL25292886 0.68 HTR6 (0.59) HTR1DHTR1BHTR1AHTR2AHTR6
SCHEMBL30565963 0.68 HTR6 (0.59) HTR1DHTR1BHTR1AHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR1D 13/4885HTR1B 8/4885HTR1A 3/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 HTR1D 16/4885HTR1B 10/4885HTR1A 5/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HTR1D 16/4885HTR1B 10/4885HTR1A 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.