SCHEMBL3622734

SCHEMBL3622734

O=S(=O)(Nc1cc(N2CCNCC2)c2occc2c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.55
HTR1A P08908 3/20 0.51
HTR2A P28223 2/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45

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 SCHEMBL1377178 0.99 HTR6 (0.54) HTR6HTR1AHTR2AHTR1DHTR1B
SCHEMBL3624183 0.91 HTR6 (0.48) HTR6HTR1AHTR2AHTR1DHTR1B
SCHEMBL3620585 0.90 HTR6 (0.49) HTR6HTR1AHTR2AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1379419 0.90 HTR6 (0.47) HTR6HTR1AHTR2AHTR1DHTR1B
SCHEMBL1062855 0.90 LMNA (0.51) HTR6
SCHEMBL3619305 0.89 HTR6 (0.53) HTR6HTR1AHTR2AHTR1DHTR1B
SCHEMBL3618637 0.89 HTR6 (0.53) HTR6HTR1AHTR2AHTR1DHTR1B
SCHEMBL1059552 0.89 LMNA (0.53) HTR6
SCHEMBL3622742 0.88 HTR6 (0.59) HTR6HTR1AHTR2AHTR1DHTR1B
SCHEMBL3620792 0.87 HTR6 (0.54) HTR6

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
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
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
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
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 disclosed
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 disclosed
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 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 1659/4885HTR1A 2063/4885HTR2A 1609/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR1A 1937/4885HTR2A 1235/4885
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 2369/4885HTR1A 1888/4885HTR2A 1425/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HTR6 1213/4885HTR1A 1937/4885HTR2A 1235/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885HTR1A 2063/4885HTR2A 1609/4885

“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.