SCHEMBL5877830

SCHEMBL5877830

Cc1ccc(C)n1-c1ccc(CC(C)C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.45
KLKB1 P03952 1/20 0.45
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
AOC2 O75106 1/20 0.41
MAPT P10636 8/20 0.39
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
APEX1 P27695 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 4/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8763089 0.81 ESR2 (0.42) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL8245249 0.80 CTSB (0.52) CTSBKLKB1RXRARXRBRXRG
SCHEMBL26936224 0.77 ACACB (0.40) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL9672981 0.77 ACACB (0.40) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL4397469 0.74 CTSB (0.50) CTSBKLKB1RXRARXRBRXRG
SCHEMBL5877976 0.73 ALDH1A1 (0.42) CTSBKLKB1RXRARXRBRXRG
SCHEMBL7717085 0.72 ESR2 (0.36) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL3945082 0.72 CYP2A6 (0.54) ALDH1A1HSD17B10
SCHEMBL13643237 0.72 ACACB (0.41) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL7011495 0.72 ESR1 (0.58) ALDH1A1MEN1KMT2AESR1ESR2

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 15 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
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO 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 CTSB 2192/4885KLKB1 4705/4885RXRA 1427/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 CTSB 3296/4885KLKB1 4669/4885RXRA 1052/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE CTSB 2437/4885KLKB1 4256/4885RXRA 1186/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 CTSB 1153/4885KLKB1 4266/4885RXRA 441/4885

“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.