SCHEMBL5878009

SCHEMBL5878009

COC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.43
MAPT P10636 3/20 0.42
HDAC1 Q13547 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
KCNA3 P22001 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 2/20 0.40
DHODH Q02127 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30683843 0.93 HRH3 (0.44) MAPTLMNAALDH1A1MAPK1KCNA3
SCHEMBL30389694 0.92 HRH3 (0.44) MAPTLMNAALDH1A1KCNA3SLC6A2
SCHEMBL23699027 0.82 THRB (0.40) P2RY1ALDH1A1KCNA3SMN1; SMN2HSD11B1
SCHEMBL11057655 0.82 HDAC1 (0.42) MAPTHDAC1LMNAALDH1A1MAPK1
SCHEMBL5878139 0.80 AKR1C1 (0.50) MAPTHDAC1LMNASMN1; SMN2NPC1
SCHEMBL844453 0.80 OPRM1 (0.53) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL1464894 0.80 CA12 (0.44) P2RY1ALDH1A1KCNA3SMN1; SMN2HSD11B1
SCHEMBL14710297 0.79 HSD11B1 (0.40) P2RY1ALDH1A1KCNA3SMN1; SMN2HSD11B1
SCHEMBL20601546 0.79 OPRM1 (0.52) P2RY1MAPTHDAC1LMNAALDH1A1
SCHEMBL1465475 0.79 POLB (0.42) P2RY1HDAC1LMNAALDH1A1KCNA3

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-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-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 P2RY1 347/4885MAPT 4760/4885HDAC1 1292/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 P2RY1 486/4885MAPT 4777/4885HDAC1 514/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE P2RY1 691/4885MAPT 1559/4885HDAC1 864/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 P2RY1 811/4885MAPT 406/4885HDAC1 233/4885

“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.