SCHEMBL5756376

SCHEMBL5756376

CC(C)(C)CCN1CCC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
DAO P14920 1/20 0.34
KCNH2 Q12809 4/20 0.31
CACNA1I Q9P0X4 3/20 0.31
KCNQ2 O43526 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRL1 P41146 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL12348842 0.89 OPRM1 (0.37) L3MBTL1TP53BP1L3MBTL3DAOKCNH2
SCHEMBL13656367 0.88 DAO (0.36) DAOKCNH2CACNA1IKCNQ2OPRM1
SCHEMBL4446353 0.77
SCHEMBL16116527 0.74 PIK3CD (0.55) DAOKCNH2CACNA1IOPRM1SIGMAR1
SCHEMBL8445221 0.73 ALDH1A1 (0.50) L3MBTL1ALDH1A1THRBSIGMAR1
SCHEMBL12348825 0.73 SMN1; SMN2 (0.41) DAOALDH1A1THRBSIGMAR1
SCHEMBL15697002 0.73 BRD4 (0.42) DAOKCNH2CACNA1IOPRM1OPRL1
SCHEMBL9385097 0.72
SCHEMBL3431165 0.72
SCHEMBL17861677 0.72 ALDH1A1 (0.51) L3MBTL1TP53BP1L3MBTL3ALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 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 (2 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-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 L3MBTL1 2669/4885TP53BP1 887/4885L3MBTL3 4287/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 L3MBTL1 2669/4885TP53BP1 887/4885L3MBTL3 4287/4885

“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.