SCHEMBL6488112

SCHEMBL6488112

CC(C)(C)OC(=O)N1CC2CCCCC2C1(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
NR1H2 P55055 2/20 0.35
PREP P48147 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H3 Q13133 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL6016853 0.83 EPHX1 (0.37) EPHX1NR1H2PREPCHRM2CHRM1
SCHEMBL6016852 0.83 EPHX1 (0.37) EPHX1NR1H2PREPCHRM2CHRM1
SCHEMBL6016798 0.80 MEN1 (0.39) EPHX1NR1H2PREPCHRM2CHRM1
SCHEMBL6016799 0.80 MEN1 (0.39) EPHX1NR1H2PREPCHRM2CHRM1
SCHEMBL7564909 0.79 EPHX1 (0.36) EPHX1NR1H2PREPCHRM2CHRM1
SCHEMBL501214 0.77 NR1H2 (0.35) EPHX1NR1H2PREPCHRM2CHRM1
SCHEMBL2493223 0.74 CHRM2 (0.37) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL2498342 0.74 CHRM2 (0.37) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL875047 0.72 CHRM2 (0.36) NR1H2CHRM2CHRM1CHRM3HPGD
SCHEMBL2119472 0.72 CHRM2 (0.36) NR1H2CHRM2CHRM1CHRM3HPGD

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-6855708-B2 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-02-15 US disclosed
US-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2003-01-09 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-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors VCAM1, CD4, ITGA4 EPHX1 2999/4885NR1H2 1059/4885PREP 3181/4885

“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.