SCHEMBL3621630

SCHEMBL3621630

CCN1CCN(c2ccc(N)c3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
RAD52 P43351 3/20 0.51
MAPT P10636 2/20 0.51
GFER P55789 2/20 0.51
CHRNA7 P36544 1/20 0.50
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA2C P18825 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRM1 P11229 1/20 0.40
HTR6 P50406 1/20 0.40
KDM1A O60341 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL3623865 0.81 ADRA2C (0.62) GAARAD52MAPTGFERKDM4E
SCHEMBL29509033 0.81 ADRA2C (0.62) GAARAD52MAPTGFERKDM4E
SCHEMBL17764863 0.80 ADRA2C (0.65) GAARAD52MAPTGFERCHRNA7
SCHEMBL10105292 0.79 KEAP1 (0.57) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL3625174 0.77 F12 (0.47) MAPTKDM4EADRA2CHRH3HTR6
SCHEMBL9275980 0.77 HTR1A (0.57) CHRNA7KDM4EHTR6
SCHEMBL3616397 0.76 ADRA2C (0.56) GAARAD52MAPTKDM4EADRA2C
SCHEMBL6712806 0.75 CTSB (0.69) GAAMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL3622302 0.75 HTR6 (0.65) KDM4EHTR6
SCHEMBL4822657 0.75 CTSB (0.56) GAAMAPTKDM4ESMN1; SMN2MEN1

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-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 GAA 424/4885RAD52 4229/4885MAPT 3274/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 GAA 285/4885RAD52 4242/4885MAPT 3055/4885
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 GAA 927/4885RAD52 2154/4885MAPT 1761/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 GAA 285/4885RAD52 4242/4885MAPT 3055/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS GAA 424/4885RAD52 4229/4885MAPT 3274/4885

“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.