SCHEMBL10119780

SCHEMBL10119780

CN(C)C(=O)C1CC(C(=O)NCNC(=O)C2CC(C(=O)N(C)C)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
DPP4 P27487 2/20 0.36
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL6735237 0.80 ALDH1A1 (0.42) CTSBCTSSCTSKDPP4HSD17B10
SCHEMBL2329823 0.80 ALDH1A1 (0.42) CTSBCTSSCTSKDPP4HSD17B10
SCHEMBL10119782 0.73 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL17900471 0.69 DPP4 (0.38) DPP4BCHE
SCHEMBL21827943 0.69 DPP4 (0.38) DPP4BCHE
SCHEMBL24707458 0.69 DPP4 (0.38) DPP4BCHE
SCHEMBL25716905 0.69 DPP4 (0.38) DPP4BCHE
SCHEMBL19462247 0.69 DPP4 (0.38) DPP4BCHE
SCHEMBL6736256 0.69 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL26755958 0.68 BCHE (0.36) DPP4BCHE

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 CTSB 753/4885CTSS 356/4885CTSK 742/4885

“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.