SCHEMBL12000751

SCHEMBL12000751

COC[C@@H]1C[C@H](C)C(O)O1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 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
SCHEMBL12289223 0.81 CHRM5 (0.35) PDK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18520342 0.78 CHRM5 (0.32) CHRM2CHRM4CHRM5CHRM1TSHR
SCHEMBL29442122 0.78 CHRM5 (0.33) PDK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL22511673 0.78 CHRM5 (0.33) PDK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL23026198 0.77
SCHEMBL23026199 0.77
SCHEMBL17717997 0.77 CHRM5 (0.53) PDK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13060709 0.76
SCHEMBL12000752 0.75
SCHEMBL10291428 0.75

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-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 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-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS PDK1 566/4885CHRM2 4870/4885CHRM4 4879/4885

“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.