SCHEMBL3887619

SCHEMBL3887619

NCCCn1cc(S(=O)(=O)c2ccc(F)cc2)c2ncccc21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.68
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
COMT P21964 2/20 0.46
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL3886434 0.97 HTR6 (0.67) HTR6TP53GAACOMTPOLB
SCHEMBL3894326 0.93 HTR6 (0.78) HTR6TP53GAACOMTHTR2A
SCHEMBL6532318 0.85 HTR6 (0.60) HTR6
SCHEMBL3889026 0.83 HTR6 (0.81) HTR6HTR2AHTR2CHTR7
SCHEMBL3899857 0.79 HTR6 (0.56) HTR6TP53GAACOMT
SCHEMBL13687079 0.74 HTR6 (1.00) HTR6HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL3886203 0.74 HTR6 (0.98) HTR6HTR2AHTR2CHTR7
SCHEMBL13687076 0.72 HTR6 (1.00) HTR6HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL3886430 0.71 HTR6 (0.98) HTR6HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL3888260 0.71 HTR6 (0.98) 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
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
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
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 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
WO-2003101990-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 WO 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 1/4885TP53 4846/4885GAA 2801/4885
US-20050085481-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR1A HTR6 1/4885TP53 4846/4885GAA 2801/4885
US-20030236278-A1 1-(aminoalkyl)-3-sulfonylazaindoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR3B HTR6 1/4885TP53 4841/4885GAA 2913/4885

“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.