SCHEMBL12410062

SCHEMBL12410062

CB(O)N1CCC2(CC1)CC(=O)c1ncccc1O2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
ACACB O00763 7/20 0.53
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ACACA Q13085 2/20 0.40
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL14919198 0.81 EPHX2 (0.64) EPHX2ACACBADRA1DADRA1AADRA1B
SCHEMBL15469500 0.79 EPHX2 (0.52) EPHX2ACACBADRA1DADRA1AADRA1B
SCHEMBL3491735 0.77 EPHX2 (0.55) EPHX2ACACBACACA
SCHEMBL1115206 0.77 EPHX2 (0.50) EPHX2ACACBADRA1DADRA1AADRA1B
SCHEMBL13339752 0.76 ACACB (0.49) EPHX2ACACBADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3493117 0.75 ACACB (0.48) EPHX2ACACBADRA1DADRA1AADRA1B
SCHEMBL12410038 0.73 KDM4E (0.36) EPHX2ADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL23928898 0.73 EPHX2 (0.54) EPHX2ACACBADRA1DADRA1AADRA1B
SCHEMBL21617954 0.72 ACACB (0.46) EPHX2ACACBADRA1DADRA1AADRA1B
SCHEMBL3494495 0.72 ACACB (0.51) EPHX2ACACBADRA1DADRA1AADRA1B

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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 EPHX2 2824/4885ACACB 122/4885ADRA1D 115/4885

“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.