SCHEMBL5877863

SCHEMBL5877863

CC(C)S(=O)(=O)NCCCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.54
GRIA4 P48058 3/20 0.51
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1I2 O75469 1/20 0.41
NMBR P28336 1/20 0.41
GRPR P30550 1/20 0.41
BRS3 P32247 1/20 0.41

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
SCHEMBL6562905 0.81 GRIA4 (0.63) NPY5RGRIA4POLBCYP2D6CYP2C9
SCHEMBL6563388 0.78 GRIA4 (0.69) GRIA4POLBCA12CA1CA2
SCHEMBL5877559 0.77 GRIA4 (0.68) NPY5RGRIA4GRIA1
SCHEMBL14022965 0.73 CYP1A2 (0.66) HCAR2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8814320 0.72 CYP1A2 (0.64) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6759420 0.72 GRIA4 (0.50) GRIA4POLBGRIA1
SCHEMBL5877345 0.72 GRIA4 (0.61) NPY5RGRIA4POLBKCNH2GRIA1
SCHEMBL6565144 0.71 GRIA4 (0.77) GRIA4CA12CA1CA2CA9
SCHEMBL3393437 0.71 CYP1A2 (0.62) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19496902 0.71 CYP1A2 (0.62) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 EP disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 US disclosed
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 US disclosed
US-6525099-B1 Potentiating glutamate receptor function; psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-25 US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 NPY5R 536/4885GRIA4 19/4885POLB 4247/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 NPY5R 598/4885GRIA4 20/4885POLB 4606/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE NPY5R 463/4885GRIA4 14/4885POLB 3861/4885

“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.