SCHEMBL4903606

SCHEMBL4903606

CN1CCC2(CC1)SCC(=O)N2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM1 P11229 1/20 0.34
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AVPR1A P37288 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
ESR2 Q92731 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
KDM1A O60341 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL13990342 0.70 CHRM2 (0.36) CHRM2CHRM3MAPK1ALDH1A1ATM
SCHEMBL1779347 0.66 USP2 (0.51) USP2SMN1; SMN2CYP2C9GPR119
SCHEMBL18389853 0.66 USP2 (0.40) CHRM2CHRM3CHRM1MAPK1USP2
SCHEMBL18195616 0.65 SCN1A (0.39) USP2SMN1; SMN2
SCHEMBL3658980 0.65 BUB1 (0.38) CHRM2CHRM3CHRM1USP2SMN1; SMN2
SCHEMBL20456344 0.65 CHRM2 (0.37) CHRM2CHRM3CHRM1USP2SMN1; SMN2
SCHEMBL996002 0.65 USP2 (0.46) USP2SMN1; SMN2NR1H2
SCHEMBL1435794 0.64 BUB1 (0.42) CHRM2CHRM3CHRM1USP2SMN1; SMN2
SCHEMBL1401215 0.64 BUB1 (0.37) CHRM2CHRM3CHRM1USP2SMN1; SMN2
SCHEMBL18390155 0.64 CYP11B2 (0.51) USP2SMN1; SMN2TSHR

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 6 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
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-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-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

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-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR PMP22, PYGB, GAP43 CHRM2 365/4885CHRM3 302/4885CHRM1 1260/4885
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor PMP22, PYGB, GAP43 CHRM2 543/4885CHRM3 431/4885CHRM1 1583/4885

“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.