SCHEMBL3577445

SCHEMBL3577445

O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CC3)c12

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.92
HTR2A P28223 15/20 0.92
HTR2C P28335 1/20 0.61
HTR6 P50406 1/20 0.61
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3571269 0.96 SLC6A2 (1.00) SLC6A2HTR2AHTR2CHTR6MEN1
SCHEMBL3575861 0.96 SLC6A2 (0.96) SLC6A2HTR2AHTR2CHTR6MEN1
SCHEMBL3573953 0.95 SLC6A2 (0.98) SLC6A2HTR2AHTR2CHTR6MEN1
SCHEMBL3566061 0.88 SLC6A2 (0.73) SLC6A2HTR2AHTR2CHTR6OPRM1
SCHEMBL3566194 0.84 HTR2A (1.00) SLC6A2HTR2AHTR2CHTR6ALDH1A1
SCHEMBL3571020 0.84 SLC6A2 (0.80) SLC6A2HTR2AHTR2CHTR6MEN1
SCHEMBL3568994 0.84 SLC6A2 (0.76) SLC6A2HTR2AHTR2CHTR6MEN1
SCHEMBL3570477 0.84 SLC6A2 (0.78) SLC6A2HTR2AHTR2CHTR6MEN1
SCHEMBL3571257 0.82 SLC6A2 (0.64) SLC6A2HTR2AHTR6MEN1ALDH1A1
SCHEMBL3565595 0.81 SLC6A2 (1.00) SLC6A2HTR2AHTR2CHTR6KMT2A

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 10 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
CN-101370775-A Sulfonyl-substituted 1H-indoles as 5-hydroxytryptamine receptor ligands WYETH CORP (US) 2009-02-18 CN 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
CN-101370775-A Sulfonyl-substituted 1H-indoles as 5-hydroxytryptamine receptor ligands WYETH CORP (US) 2009-02-18 CN 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.