SCHEMBL3565899

SCHEMBL3565899

CC(C)NCCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.61
HTR2A P28223 7/20 0.61
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
EP300 Q09472 3/20 0.41
HAT1 O14929 2/20 0.41
MET P08581 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 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
SCHEMBL3574158 0.91 SLC6A2 (0.61) SLC6A2HTR2AMAPTTP53HDAC3
SCHEMBL3565823 0.87 SLC6A2 (0.60) SLC6A2HTR2AMAPTTP53HDAC3
SCHEMBL3567207 0.84 SLC6A2 (0.61) SLC6A2HTR2AMAPTTP53HDAC3
SCHEMBL3572275 0.83 HTR2A (0.49) SLC6A2HTR2AMAPTHDAC3HDAC4
SCHEMBL3576192 0.81 SLC6A2 (0.50) SLC6A2HTR2AMAPTTP53HDAC3
SCHEMBL3564759 0.81 SLC6A2 (0.63) SLC6A2HTR2AHDAC3HDAC4HDAC1
SCHEMBL3569186 0.81 SLC6A2 (0.57) SLC6A2HTR2AMAPTTP53HDAC3
SCHEMBL3577221 0.81 SLC6A2 (0.56) SLC6A2HTR2AMAPTTP53HDAC3
SCHEMBL3568706 0.81 HDAC3 (0.52) SLC6A2HTR2AMAPTTP53HDAC3
SCHEMBL3569704 0.80 HTR2A (0.59) SLC6A2HTR2AMAPTTP53HDAC3

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 3/4885MAPT 2747/4885

“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.