SCHEMBL3887629

SCHEMBL3887629

O=S(=O)(c1ccccc1)c1cn(CCCN(Cc2ccccc2)Cc2ccccc2)c2ncccc12

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.68
HTR2A P28223 4/20 0.53
HTR2C P28335 4/20 0.53
HTR7 P34969 4/20 0.53
DRD3 P35462 1/20 0.51

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
SCHEMBL3897408 0.82 HTR6 (0.86) HTR6HTR2AHTR2CHTR7DRD3
SCHEMBL13687088 0.81 HTR6 (1.00) HTR6HTR2AHTR2CHTR7DRD3
Hydrochloric Acid SCHEMBL3885084 0.80 HTR6 (0.98) HTR6HTR2AHTR2CHTR7DRD3
SCHEMBL3898702 0.79 HTR6 (1.00) HTR6HTR2AHTR2CHTR7
SCHEMBL3899230 0.79 HTR6 (0.77) HTR6HTR2AHTR2CHTR7DRD3
Hydrochloric Acid SCHEMBL3898962 0.78 HTR6 (0.97) HTR6HTR2AHTR2CHTR7
SCHEMBL5784186 0.76 HTR6 (0.71) HTR6
SCHEMBL3885946 0.75 HTR6 (0.69) HTR6HTR2AHTR2CHTR7DRD3
SCHEMBL6533193 0.74 HDAC3 (0.40) HTR6HTR2AHTR2CHTR7DRD3
SCHEMBL13687071 0.74 HTR6 (0.68) HTR6HTR2AHTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509522-B1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-02-28 EP claimed
EP-1509522-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth, A Corporation of the State of Delaware (US) 2005-03-02 EP claimed
US-6825212-B2 SEROTONINE RECEPTORS ANTAGONIST; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-30 US claimed
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-25 US claimed
WO-2003101990-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 WO claimed
US-7585873-B2 antiserotonine agents; central nervous system disorders; Alzheimer's disease; 3-(Phenylthio)-1H-pyrrolo[2,3-b]pyridine WYETH (US) 2009-09-08 US disclosed
EP-1509522-B1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-02-28 EP disclosed
US-7074792-B2 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-11 US disclosed
US-20060148831-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-06 US disclosed
US-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-04-21 US disclosed
US-6825212-B2 SEROTONINE RECEPTORS ANTAGONIST; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-30 US disclosed
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-25 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-20060148831-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR1A HTR6 1/4885HTR2A 10/4885HTR2C 7/4885
US-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR1A HTR6 1/4885HTR2A 10/4885HTR2C 7/4885
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR3B HTR6 1/4885HTR2A 11/4885HTR2C 7/4885

“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.