SCHEMBL4867009

SCHEMBL4867009

CC[C@@H]1SC2(CCN(C)CC2)N(C(=O)CCc2c[nH]c3ccccc23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL4867017 1.00 GLA (0.49) GLAKMT2ALMNAALDH1A1MEN1
SCHEMBL4873008 1.00 GLA (0.49) GLAKMT2ALMNAALDH1A1MEN1
SCHEMBL4868338 0.84 HTR2A (0.47) KMT2AALDH1A1MEN1GAAKDM4E
SCHEMBL13990242 0.82 HTR1A (0.48) MAPTHTR2A
SCHEMBL5818383 0.76 GLA (0.42) GLAKMT2AALDH1A1MEN1GAA
SCHEMBL1327610 0.75 GLA (0.52) GLAKMT2ALMNAALDH1A1MEN1
SCHEMBL1328279 0.75 GLA (0.52) GLAKMT2ALMNAALDH1A1MEN1
SCHEMBL29802831 0.75 GLA (0.52) GLAKMT2ALMNAALDH1A1MEN1
SCHEMBL1326705 0.75 GLA (0.52) GLAKMT2ALMNAALDH1A1MEN1
SCHEMBL13015117 0.72 GLA (0.59) GLAKMT2ALMNAALDH1A1MEN1

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-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2008-12-11 US claimed
EP-1507765-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INST BIOLOG RES (IL) 2006-11-02 EP claimed
US-20060052406-A1 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISREAL INSTITUTE FOR BIOLOGICAL RESEARCH (US) 2006-03-09 US claimed
CN-1662506-A Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISRAEL INST BIOLOG RES (IL) 2005-08-31 CN claimed
EP-1507765-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2005-02-23 EP claimed
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2004-03-04 US claimed
WO-2003092580-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2003-11-13 WO claimed
US-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2008-12-11 US disclosed
US-7439251-B2 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2008-10-21 US disclosed
EP-1507765-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INST BIOLOG RES (IL) 2006-11-02 EP disclosed
US-7049321-B2 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2006-05-23 US disclosed
US-20060052406-A1 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISREAL INSTITUTE FOR BIOLOGICAL RESEARCH (US) 2006-03-09 US disclosed
CN-1662506-A Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISRAEL INST BIOLOG RES (IL) 2005-08-31 CN disclosed
EP-1507765-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2005-02-23 EP disclosed
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2004-03-04 US disclosed
WO-2003092580-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2003-11-13 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 (3 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-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR PMP22, PYGB, GAP43 GLA 3385/4885KMT2A 4687/4885LMNA 1519/4885
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor PMP22, PYGB, GAP43 GLA 3022/4885KMT2A 4715/4885LMNA 1446/4885
US-20060052406-A1 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor PMP22, PYGB, GAP43 GLA 3385/4885KMT2A 4687/4885LMNA 1519/4885

“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.