SCHEMBL3568602

SCHEMBL3568602

CC(NCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12)C(C)(C)C

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.82
HTR2A P28223 15/20 0.82
HTR2C P28335 1/20 0.56
HTR6 P50406 1/20 0.56
CYP19A1 P11511 1/20 0.40
PTGER3 P43115 2/20 0.38

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
SCHEMBL3571043 0.90 SLC6A2 (1.00) SLC6A2HTR2AHTR2CHTR6CYP19A1
SCHEMBL3567349 0.89 SLC6A2 (0.65) SLC6A2HTR2AHTR2CHTR6PTGER3
SCHEMBL3566194 0.85 HTR2A (1.00) SLC6A2HTR2AHTR2CHTR6CYP19A1
SCHEMBL3565614 0.83 SLC6A2 (1.00) SLC6A2HTR2AHTR2CHTR6CYP19A1
SCHEMBL3572149 0.83 SLC6A2 (0.78) SLC6A2HTR2AHTR2CHTR6CYP19A1
Hydrochloric Acid SCHEMBL3573343 0.83 SLC6A2 (0.98) SLC6A2HTR2AHTR2CHTR6CYP19A1
SCHEMBL3565985 0.82 SLC6A2 (0.79) SLC6A2HTR2AHTR2CHTR6CYP19A1
SCHEMBL3565595 0.82 SLC6A2 (1.00) SLC6A2HTR2AHTR2CHTR6CYP19A1
SCHEMBL3569062 0.81 SLC6A2 (1.00) SLC6A2HTR2AHTR2CHTR6CYP19A1
SCHEMBL3569760 0.80 SLC6A2 (0.79) SLC6A2HTR2AHTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US claimed
EP-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP claimed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US claimed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 WO claimed
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US disclosed
EP-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US disclosed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 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 (1 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-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors HTR5A, HTR2C, HTR2A SLC6A2 20/4885HTR2A 3/4885HTR2C 2/4885

“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.