SCHEMBL3621040

SCHEMBL3621040

Nc1cc(N2CCNCC2)c2occc2c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
DYRK1A Q13627 1/20 0.39
ADRB1 P08588 1/20 0.39

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 SCHEMBL6047107 0.98 NCF1 (0.40) NCF1DYRK1A
SCHEMBL1064214 0.86 ALDH1A1 (0.44)
SCHEMBL1065580 0.84 ALDH1A1 (0.44)
SCHEMBL1057581 0.83 GAA (0.47) NCF1
SCHEMBL3620002 0.83 KDM4E (0.46) NCF1
SCHEMBL6711164 0.79 HTR1A (0.38)
Hydrochloric Acid SCHEMBL6299569 0.78 PRKD1 (0.42)
Hydrochloric Acid SCHEMBL6300254 0.77 HTR1A (0.44) NCF1
Hydrochloric Acid SCHEMBL6298304 0.77 HTR6 (0.47)
SCHEMBL1064215 0.77 NCF1 (0.39) NCF1

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 11 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-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 NCF1 2967/4885DYRK1A 3951/4885ADRB1 2654/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 NCF1 2806/4885DYRK1A 3976/4885ADRB1 2893/4885
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 NCF1 1239/4885DYRK1A 3337/4885ADRB1 2671/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 NCF1 2806/4885DYRK1A 3976/4885ADRB1 2893/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS NCF1 2967/4885DYRK1A 3951/4885ADRB1 2654/4885

“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.