SCHEMBL4868611

SCHEMBL4868611

CN1CCC2(CC1)SCC(=O)N2CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.34
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
NEK2 P51955 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL8346490 0.74 TSHR (0.35) TSHRCHRM2CHRM3NEK2
SCHEMBL4872745 0.74 PIN1 (0.48) PIN1ALDH1A1MAPK1
SCHEMBL13990342 0.73 CHRM2 (0.36) CHRM2CHRM3NEK2ALDH1A1MAPK1
SCHEMBL13990227 0.72 TSHR (0.34) TSHRCHRM2CHRM3
SCHEMBL12656191 0.71 PIN1 (0.37) PIN1ALDH1A1MAPK1
SCHEMBL15434338 0.68 ALDH1A1 (0.35) CHRM2CHRM3NEK2ALDH1A1MAPK1
SCHEMBL14370183 0.61 SORT1 (0.32) PIN1ALDH1A1MAPK1
SCHEMBL8545656 0.61 ALDH1A1 (0.37) PIN1ALDH1A1MAPK1
SCHEMBL15381287 0.60 CHRM2 (0.34) CHRM2CHRM3NEK2ALDH1A1
SCHEMBL18256171 0.59 CHKA (0.42) TSHR

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 20 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
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 PIN1 886/4885TSHR 2768/4885CHRM2 365/4885
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor PMP22, PYGB, GAP43 PIN1 849/4885TSHR 3024/4885CHRM2 543/4885
US-20060052406-A1 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor PMP22, PYGB, GAP43 PIN1 886/4885TSHR 2768/4885CHRM2 365/4885

“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.