SCHEMBL4301733

SCHEMBL4301733

COC(=O)C1C2CC=CCC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 1/20 0.36
PTPN1 P18031 2/20 0.35
PREP P48147 2/20 0.35
PDE4B Q07343 2/20 0.35
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 2/20 0.31
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2738416 0.86 PREP (0.36) NR1H2PREPHSD11B1CHRM2CHRM1
SCHEMBL30886791 0.83 NR1H2 (0.40) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL2932735 0.83 NR1H2 (0.40) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL31109910 0.83 NR1H2 (0.40) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL30220406 0.83 NR1H2 (0.40) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL24513562 0.83 NR1H2 (0.40) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL20729593 0.82 NR1H2 (0.34) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL20729652 0.82 NR1H2 (0.34) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL20729517 0.82 NR1H2 (0.34) NR1H2NR1H3PTPN1PREPPDE4B
SCHEMBL4306212 0.82 PREP (0.38) NR1H2NR1H3PTPN1PREPPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 US disclosed
EP-2014648-A1 PROCESS FOR PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDUCT SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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 (1 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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF C9, NPPA, ADH1C NR1H2 4250/4885NR1H3 4039/4885PTPN1 3341/4885

“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.