SCHEMBL977505

SCHEMBL977505

[CH2]C(c1ccc2[nH]cc(CC3CCCN3C)c2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.66
HTR1B P28222 6/20 0.66
HTR1D P28221 5/20 0.66
HTR1A P08908 2/20 0.65
CHRM2 P08172 1/20 0.65
ADRA2A P08913 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD1 P21728 1/20 0.65
SLC6A2 P23975 1/20 0.65
OPRM1 P35372 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1F P30939 1/20 0.56
HTR7 P34969 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL27754352 1.00 HTR6 (0.66) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8789709 0.90 HTR1B (0.70) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8506717 0.80 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8506720 0.80 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL1697466 0.80 HTR1B (0.67) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL8984139 0.80 HTR1B (0.75) HTR6HTR1BHTR1DHTR1ACHRM2
SCHEMBL5647758 0.80 HTR6 (0.66) HTR6HTR1BHTR1DHTR1ACHRM2
Bromide SCHEMBL505857 0.79 HTR6 (0.65) HTR6HTR1BHTR1DHTR1ACHRM2
Eletriptan SCHEMBL798473 0.79 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2
Eletriptan SCHEMBL1556539 0.79 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807571-A Transdermal therapeutic systems for administering indole serotonin agonists LTS LOHMANN THERAPIE-SYSTEME GMBH (DE) 1998-09-15 US claimed
US-8609134-B2 Methods of transdermally administering an indole serotonin receptor agonist and transdermal compositions for use in the same TEIKOKU PHARMA USA, INC. (US) 2013-12-17 US disclosed
US-20110002967-A1 Methods of Transdermally Administering an Indole Serotonin Receptor Agonist and Transdermal Compositions for Use in the Same TEIKOKU PHARMA USA, INC. 2011-01-06 US disclosed
US-7816394-B2 Methods of transdermally administering an indole serotonin receptor agonist and transdermal compositions for use in the same TEIKOKU PHARMA USA INC. (US) 2010-10-19 US disclosed
EP-2170063-A1 ORGANOLEPTICALLY ACCEPTABLE INDOLE SEROTONIN RECEPTOR AGONIST ORAL DOSAGE FORMULATIONS AND METHODS OF USING THE SAME Teikoku Pharma USA, Inc. (US) 2010-04-07 EP disclosed
WO-2009014960-A1 ORGANOLEPTICALLY ACCEPTABLE INDOLE SEROTONIN RECEPTOR AGONIST ORAL DOSAGE FORMULATIONS AND METHODS OF USING THE SAME TEIKOKU PHARMA USA, INC. (US) 2009-01-29 WO disclosed
US-20090028802-A1 ORGANOLEPTICALLY ACCEPTABLE INDOLE SEROTONIN RECEPTOR AGONIST ORAL DOSAGE FORMULATIONS AND METHODS OF USING THE SAME TEIKOKU PHARMA USA, INC. 2009-01-29 US disclosed
US-20070140977-A1 METHODS OF TRANSDERMALLY ADMINISTERING AN INDOLE SEROTONIN RECEPTOR AGONIST AND TRANSDERMAL COMPOSITIONS FOR USE IN THE SAME TEIKOKU PHARMA USA, INC. 2007-06-21 US disclosed
US-5807571-A Transdermal therapeutic systems for administering indole serotonin agonists LTS LOHMANN THERAPIE-SYSTEME GMBH (DE) 1998-09-15 US 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-20070140977-A1 METHODS OF TRANSDERMALLY ADMINISTERING AN INDOLE SEROTONIN RECEPTOR AGONIST AND TRANSDERMAL COMPOSITIONS FOR USE IN THE SAME HTR7, TPH1, TPH2 HTR6 12/4885HTR1B 14/4885HTR1D 25/4885
US-20110002967-A1 Methods of Transdermally Administering an Indole Serotonin Receptor Agonist and Transdermal Compositions for Use in the Same HTR7, TPH1, TPH2 HTR6 12/4885HTR1B 14/4885HTR1D 25/4885
US-20090028802-A1 ORGANOLEPTICALLY ACCEPTABLE INDOLE SEROTONIN RECEPTOR AGONIST ORAL DOSAGE FORMULATIONS AND METHODS OF USING THE SAME HTR5A, HTR3A, HTR1A HTR6 9/4885HTR1B 20/4885HTR1D 11/4885

“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.