SCHEMBL10308381

SCHEMBL10308381

CC(C)C(=O)[C@@H]1C[C@H]1C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
EPHX1 P07099 1/20 0.31
PIK3CD O00329 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
SCHEMBL10308382 1.00 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14098845 1.00 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14098842 1.00 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10308383 1.00 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10208126 0.89 GABRR1 (0.40) GRM2GRM3
SCHEMBL10308644 0.89 CHRNB2 (0.30) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10308561 0.89 CHRNB2 (0.30) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10308645 0.89 CHRNB2 (0.30) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19913393 0.89 GABRR1 (0.40) GRM2GRM3
SCHEMBL2755799 0.89 GABRR1 (0.40) GRM2GRM3

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-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 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 (2 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-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA CHRNB2 1235/4885CHRNA3 1251/4885CHRNA4 1545/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA CHRNB2 1235/4885CHRNA3 1251/4885CHRNA4 1545/4885

“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.