SCHEMBL3886942

SCHEMBL3886942

NCCc1cn(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.47
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2A P28223 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2B P41595 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37

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
SCHEMBL3886893 0.87 HTR6 (0.56) HTR6HTR2CHTR7HTR2A
SCHEMBL3887209 0.87 HTR6 (0.47) HTR6HTR2CHTR7HTR2ASLC40A1
SCHEMBL3899476 0.84 MET (0.50) HTR6HTR2CHTR7HTR2A
SCHEMBL3886630 0.84 HTR6 (0.49) HTR6HTR2CHTR7HTR2ACYP3A4
SCHEMBL3888250 0.84 HTR6 (0.67) HTR6HTR2CHTR7HTR2A
SCHEMBL3886319 0.84 HTR6 (0.57) HTR6HTR2CHTR7HTR2A
SCHEMBL3893909 0.83 HTR6 (0.69) HTR6HTR2CHTR7HTR2A
SCHEMBL3890030 0.83 HTR6 (0.69) HTR6HTR2CHTR7HTR2A
SCHEMBL3896698 0.83 HTR6 (0.50) HTR6
SCHEMBL3893878 0.81 HTR6 (0.70) HTR6HTR2CHTR7HTR2ACYP3A4

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 6 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
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 HTR6 1/4885HTR2C 9/4885HTR7 6/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 HTR6 1/4885HTR2C 8/4885HTR7 3/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HTR6 1/4885HTR2C 8/4885HTR7 3/4885

“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.