SCHEMBL10119782

SCHEMBL10119782

COC(=O)C1CC(C(=O)NCNC(=O)C2CC(C(=O)OC)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.52
CHRNA4 P43681 5/20 0.52
CHRNA7 P36544 3/20 0.52
CHRNB4 P30926 3/20 0.52
CHRNA3 P32297 3/20 0.52
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1297555 0.82 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL12265855 0.82 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL26650243 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL26650248 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL19250515 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL10119784 0.74 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL10119780 0.73 CTSB (0.37) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6371293 0.73 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL20007035 0.73 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7472907 0.73 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 CHRNB2 4076/4885CHRNA4 4221/4885CHRNA7 3700/4885

“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.