SCHEMBL3569704

SCHEMBL3569704

CN(C)CCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.59
SLC6A2 P23975 4/20 0.59
HTR1A P08908 6/20 0.49
HTR1D P28221 5/20 0.49
HTR1B P28222 4/20 0.49
HTR2B P41595 3/20 0.49
HTR7 P34969 2/20 0.49
HTR5A P47898 2/20 0.49
HTR2C P28335 2/20 0.49
HTR1E P28566 1/20 0.49
HTR1F P30939 1/20 0.49
HTR3A P46098 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49
LMNA P02545 1/20 0.48
ADRA2B P18089 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
Hydrochloric Acid SCHEMBL3572690 0.99 HTR2A (0.58) HTR2ASLC6A2HTR1AHTR1DHTR1B
SCHEMBL3579618 0.90 HTR2A (0.59) HTR2ASLC6A2HTR1AHTR1DHTR1B
SCHEMBL3579703 0.90 HTR2A (0.61) HTR2ASLC6A2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL3579549 0.89 HTR2A (0.58) HTR2ASLC6A2HTR1AHTR1DHTR1B
SCHEMBL3568421 0.89 SLC6A2 (0.49) HTR2ASLC6A2HTR1AHTR1DHTR1B
SCHEMBL3576528 0.85 HDAC3 (0.48) HTR2ASLC6A2HTR1AHTR1DHTR1B
SCHEMBL3577221 0.84 SLC6A2 (0.56) HTR2ASLC6A2HTR1AHTR1DHTR1B
SCHEMBL3568706 0.84 HDAC3 (0.52) HTR2ASLC6A2HTR1AHTR1BHTR2C
SCHEMBL3565823 0.83 SLC6A2 (0.60) HTR2ASLC6A2HTR1ALMNAHDAC3
Hydrochloric Acid SCHEMBL3574630 0.82 SLC6A2 (0.55) HTR2ASLC6A2HTR1AHTR1DHTR1B

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 13 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
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US disclosed
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
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US 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
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 HTR2A 3/4885SLC6A2 20/4885HTR1A 5/4885

“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.