SCHEMBL1380077

SCHEMBL1380077

O=S(=O)(Nc1cc(N2CCNCC2)c2occc2c1)C1(c2cccc3ccccc23)C=CC=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTR1A P08908 3/20 0.36
HTR2A P28223 3/20 0.36
HTR7 P34969 3/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
NCF1 P14598 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MTOR P42345 1/20 0.36
HTR3A P46098 1/20 0.36
HTR5A P47898 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3620765 0.81 HTR6 (0.35) HTR6CYP1A2CYP2D6HTR1AHTR2A
SCHEMBL4209784 0.78 HTR6 (0.53) HTR6CYP1A2CYP2D6HTR1AHTR2A
SCHEMBL1380082 0.75 HTR6 (0.46) HTR6CYP1A2CYP2D6HTR1AHTR2A
SCHEMBL3622734 0.72 HTR6 (0.55) HTR6HTR1AHTR2AHTR7HTR1D
Hydrochloric Acid SCHEMBL1377178 0.72 HTR6 (0.54) HTR6HTR1AHTR2AHTR7HTR1D
SCHEMBL3626769 0.69 HTR6 (0.48) HTR6HTR1AHTR2AHTR7HTR1D
SCHEMBL3620770 0.69 HTR6 (0.41) HTR6CYP1A2CYP2D6HTR1AHTR2A
SCHEMBL3619404 0.68 HTR6 (0.49) HTR6HTR1AHTR2AHTR7HTR1D
SCHEMBL3620585 0.68 HTR6 (0.49) HTR6HTR1AHTR2AHTR1DHTR1B
SCHEMBL3624183 0.68 HTR6 (0.48) HTR6HTR1AHTR2AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 2011-07-20 JP claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 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 (5 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-20070066599-A1 New compounds SULT2A1, GPR119, STS HTR6 1659/4885CYP1A2 221/4885CYP2D6 236/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885CYP1A2 109/4885CYP2D6 125/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 HTR6 2369/4885CYP1A2 49/4885CYP2D6 250/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885CYP1A2 109/4885CYP2D6 125/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885CYP1A2 221/4885CYP2D6 236/4885

“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.