SCHEMBL4074504

SCHEMBL4074504

O=S(=O)(c1ccccn1)c1nn(CC2CCCN2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.40
MERTK Q12866 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4074489 0.85 HTR6 (0.50) HTR6MERTK
SCHEMBL4070322 0.85 HTR6 (0.50) HTR6MERTK
Hydrochloric Acid SCHEMBL4073491 0.84 HTR6 (0.49) HTR6MERTK
SCHEMBL4068604 0.80 HTR6 (0.43) HTR6
SCHEMBL4074348 0.80 HTR6 (0.41) HTR6MERTK
SCHEMBL4071360 0.77 HTR6 (0.40) HTR6
SCHEMBL4819457 0.77 HTR6 (0.46) HTR6MERTKCHRNB2CHRNA4
SCHEMBL4817049 0.74 KMT2A (0.46) HTR6MERTKCHRNB2CHRNA4
SCHEMBL4815152 0.69 DRD2 (0.37) HTR6CHRNB2CHRNA4
SCHEMBL4808285 0.69 DRD2 (0.39) HTR6CHRNB2CHRNA4

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-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 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 (2 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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTR6 1/4885MERTK 1944/4885CHRNB2 110/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885MERTK 1724/4885CHRNB2 155/4885

“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.