SCHEMBL12877873

SCHEMBL12877873

CC(C)(C)OC(=O)C1CCC[C@@H]1CN

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.34
GABRR2 P28476 1/20 0.34
PEPD P12955 1/20 0.34
BTK Q06187 1/20 0.34
EPHX1 P07099 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GAA P10253 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
SCHEMBL12892156 1.00 GABRR1 (0.34) GABRR1GABRR2PEPDBTKEPHX1
SCHEMBL24923284 0.82 EPHX1 (0.36) BTKEPHX1HRH3MAPK1HPGD
SCHEMBL22447718 0.81 CHRM2 (0.42) GABRR1GABRR2PEPDCHRM2CHRM3
SCHEMBL1296115 0.78 EPHX1 (0.41) BTKEPHX1HRH3MAPK1HPGD
SCHEMBL8788545 0.78 PDE4B (0.34) EPHX1HRH3GAA
SCHEMBL8905563 0.78 EPHX1 (0.33) EPHX1HRH3GAA
SCHEMBL30364247 0.78 BTK (0.39) BTKEPHX1HRH3MAPK1HPGD
SCHEMBL25453169 0.78 BTK (0.39) BTKEPHX1HRH3MAPK1HPGD
SCHEMBL2502211 0.78 BTK (0.39) BTKEPHX1HRH3MAPK1HPGD
SCHEMBL13918262 0.78 SLC6A2 (0.42) GABRR1GABRR2EPHX1CHRM2CHRM3

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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 GABRR1 3176/4885GABRR2 3662/4885PEPD 375/4885

“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.