SCHEMBL3303203

SCHEMBL3303203

CCC1[C@@H]2CC[C@H](O)C[C@@H]2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PREP P48147 4/20 0.36
CYP3A4 P08684 6/20 0.34
MAPT P10636 2/20 0.34
HSD11B1 P28845 1/20 0.34
NR1H2 P55055 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL3301760 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPCYP3A4
SCHEMBL3306913 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPCYP3A4
SCHEMBL3304466 0.86 CYP3A4 (0.39) CYP3A4MAPTKDM4EALDH1A1
SCHEMBL3305703 0.86 CYP3A4 (0.39) CYP3A4MAPTKDM4EALDH1A1
SCHEMBL3303578 0.81 CHRM2 (0.36) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL6922250 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPCYP3A4
SCHEMBL3303849 0.76 GPR119 (0.35) HSD11B1GPR119
SCHEMBL6328311 0.72 NR1H2 (0.34) CYP3A4NR1H2KDM4E
SCHEMBL5819619 0.72 NR1H2 (0.41) CHRM2CHRM1CHRM3PREPCYP3A4
SCHEMBL6363601 0.72 NR1H2 (0.41) CHRM2CHRM1CHRM3PREPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 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 (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-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 CHRM2 513/4885CHRM1 338/4885CHRM3 581/4885

“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.