SCHEMBL4300631

SCHEMBL4300631

CC(C)(C)OC(=O)N1CC2CC=CCC2C1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PREP P48147 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD11B1 P28845 2/20 0.33
GPR119 Q8TDV5 3/20 0.33
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.82 PREP (0.36) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL4298656 0.81 AR (0.35) NR1H2PREPGPR119
SCHEMBL4301335 0.81 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL4301733 0.80 NR1H2 (0.36) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL4311605 0.80 CHRM2 (0.42) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL4301555 0.77 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL30516973 0.77 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL4302765 0.77 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL2738415 0.75 NR1H2 (0.33) NR1H2PREP
SCHEMBL1425576 0.74 NR1H2 (0.58) NR1H2PREPGPR119USP2SMN1; SMN2

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 4250/4885CHRM2 1427/4885CHRM1 1013/4885

“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.