SCHEMBL4867845

SCHEMBL4867845

COc1ccc(CN2C(=O)CSC23CCN(C)CC3)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
PIN1 Q13526 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 6/20 0.41
CA2 P00918 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APLNR P35414 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
KCNA5 P22460 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4871520 0.79 BTK (0.43) TSHRKDM4EMAPK1ALDH1A1CA2
SCHEMBL15536629 0.70 TSHR (0.40) TSHRKDM4EMAPK1ALDH1A1CA2
SCHEMBL15536633 0.70 TSHR (0.40) TSHRKDM4EMAPK1ALDH1A1CA2
SCHEMBL10640944 0.69 KDM4E (0.53) TSHRKDM4EMAPK1ALDH1A1MAPT
SCHEMBL4154483 0.69 APLNR (0.54) TSHRKDM4EMAPK1ALDH1A1MAPT
SCHEMBL21096077 0.68 APLNR (0.43) TSHRKDM4EMAPK1ALDH1A1CA2
SCHEMBL8373325 0.67 MTNR1A (0.52) TSHRKDM4EMAPK1ALDH1A1LMNA
SCHEMBL15380236 0.67 KDM4E (0.46) TSHRKDM4EMAPK1ALDH1A1MAPT
SCHEMBL15380271 0.67 APLNR (0.46) TSHRKDM4EMAPK1ALDH1A1MAPT
SCHEMBL27396041 0.67 APLNR (0.51) TSHRKDM4EMAPK1ALDH1A1MAPT

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 19 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-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-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
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
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
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 TSHR 2768/4885PIN1 886/4885KDM4E 4776/4885
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor PMP22, PYGB, GAP43 TSHR 3024/4885PIN1 849/4885KDM4E 4781/4885
US-20060052406-A1 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor PMP22, PYGB, GAP43 TSHR 2768/4885PIN1 886/4885KDM4E 4776/4885

“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.