SCHEMBL5877385

SCHEMBL5877385

CCC(CN)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.51
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
TSHR P16473 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL19937892 0.81 GRIA4 (0.49) GRIA4ADRA2AADRA2BADRA2CTSHR
SCHEMBL18253211 0.80 GRIA4 (0.51) GRIA4ADRA2AADRA2BADRA2CTSHR
SCHEMBL19803213 0.77 ADRA2A (0.42) ADRA2AADRA2BADRA2CTSHRHDAC8
SCHEMBL2940989 0.76 GRIA4 (0.51) GRIA4TSHRHDAC8HDAC6LMNA
SCHEMBL5878391 0.75 TAAR1 (0.56) GRIA4TSHRLMNATYRNPC1
SCHEMBL11660622 0.75 TSHR (0.41) GRIA4TSHRLMNATYRNPC1
SCHEMBL6982075 0.75 TAAR1 (0.56) GRIA4TSHRLMNATYRNPC1
SCHEMBL4728211 0.75 ADRA2A (0.46) GRIA4ADRA2AADRA2BADRA2CHDAC8
SCHEMBL19803214 0.75 GABBR2 (0.56) ADRA2AADRA2BADRA2CTSHRLMNA
SCHEMBL21866432 0.75 SLC6A4 (0.53) GRIA4TSHRLMNATYRNPC1

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 16 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-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 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-6521605-B1 Potentiating glutamate receptor function; treating such as psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-18 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
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 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 (4 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 GRIA4 19/4885ADRA2A 250/4885ADRA2B 198/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 GRIA4 20/4885ADRA2A 368/4885ADRA2B 329/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE GRIA4 14/4885ADRA2A 986/4885ADRA2B 1175/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 GRIA4 16/4885ADRA2A 1267/4885ADRA2B 2069/4885

“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.