SCHEMBL5877648

SCHEMBL5877648

CC(C)(C)OC(=O)CC(CN)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.42
GABBR1 Q9UBS5 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL5877614 1.00 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL5877532 1.00 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL26956996 0.91 NPC1 (0.40) CYP2C9CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL21656591 0.87 GABBR2 (0.43) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL23731633 0.83 MEN1 (0.45) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL28513442 0.81 ALDH1A1 (0.34) LMNACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL19594925 0.80 ALDH1A1 (0.40) CYP1A2CYP2D6TSHRALOX5NPC1
SCHEMBL28065982 0.80 GABBR2 (0.45) GABBR2GABBR1LMNACYP2C9CYP1A2
SCHEMBL8770939 0.80 NPC1 (0.39) CYP1A2CYP2D6NPC1RECQLRAB9A
SCHEMBL8903606 0.79 GABBR2 (0.42) GABBR2GABBR1LMNACYP2C9CYP1A2

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 14 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
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

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 GABBR2 74/4885GABBR1 108/4885LMNA 3909/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 GABBR2 236/4885GABBR1 242/4885LMNA 2852/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE GABBR2 51/4885GABBR1 50/4885LMNA 4541/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 GABBR2 157/4885GABBR1 147/4885LMNA 4726/4885

“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.