SCHEMBL6735237

SCHEMBL6735237

CN(C)C(=O)C1CC(C(=O)N(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
DPP4 P27487 5/20 0.41
GLI1 P08151 1/20 0.37
BCHE P06276 1/20 0.34
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
GAA P10253 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL2329823 1.00 ALDH1A1 (0.42) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL19462247 0.86 DPP4 (0.38) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL21827943 0.86 DPP4 (0.38) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL17900471 0.86 DPP4 (0.38) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL25716905 0.86 DPP4 (0.38) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL24707458 0.86 DPP4 (0.38) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL668995 0.84 DPP4 (0.37) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL13275204 0.84 DPP4 (0.37) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL21545609 0.81 GLI1 (0.41) ALDH1A1TSHRDPP4GLI1BCHE
SCHEMBL197080 0.81

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 16 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-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 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-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 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
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 (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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 ALDH1A1 4017/4885TSHR 4727/4885DPP4 4637/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 ALDH1A1 3961/4885TSHR 4746/4885DPP4 4527/4885

“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.