SCHEMBL3304466

SCHEMBL3304466

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.33
HCRTR2 O43614 2/20 0.32
ACE P12821 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
SCHEMBL3305703 1.00 CYP3A4 (0.39) CYP3A4MAPTKDM4EALDH1A1KMT2A
SCHEMBL3306913 0.86 CHRM2 (0.44) CYP3A4MAPTKDM4EALDH1A1
SCHEMBL3303203 0.86 CHRM2 (0.44) CYP3A4MAPTKDM4EALDH1A1
SCHEMBL3301760 0.86 CHRM2 (0.44) CYP3A4MAPTKDM4EALDH1A1
SCHEMBL6328311 0.85 NR1H2 (0.34) CYP3A4KDM4EHCRTR2ACE
SCHEMBL6608199 0.84 HCRTR2 (0.31) CYP3A4KDM4EHCRTR2ACE
SCHEMBL6328315 0.84 HCRTR2 (0.32) CYP3A4MAPTHCRTR2ACE
SCHEMBL6334750 0.84 HCRTR2 (0.31) CYP3A4KDM4EHCRTR2ACE
SCHEMBL3303118 0.83 HCRTR2 (0.39) HCRTR2ACE
SCHEMBL3303603 0.79 ACE (0.32) HCRTR2ACE

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 CYP3A4 3872/4885MAPT 631/4885KDM4E 3336/4885

“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.