SCHEMBL2768616

SCHEMBL2768616

CC(C)(C)N(C(=O)O)[C@@H](Cc1cc(Cl)c2c(c1)OCO2)C(=O)c1nccs1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
EDNRA P25101 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PDE5A O76074 2/20 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
SCHEMBL1798770 0.81 EDNRA (0.32) MAPK8TDP1EDNRAALDH1A1
SCHEMBL1797443 0.79 CMA1 (0.38) MAPK8POLBCASP6
SCHEMBL1799870 0.77 NPC1 (0.31) TDP1
SCHEMBL1799693 0.77 CTSK (0.36) MAPK8TDP1
SCHEMBL1799689 0.77 CTSK (0.36) MAPK8TDP1
SCHEMBL2768617 0.72 GRM5 (0.39) POLBCASP6
SCHEMBL1795615 0.70 NPC1 (0.30)
SCHEMBL1794725 0.69 MAPK8 (0.35) MAPK8TDP1POLBCASP6EDNRA
SCHEMBL1801475 0.68 CNR2 (0.34) MAPK8TDP1EDNRAPDE5A
SCHEMBL5018742 0.63 TAAR1 (0.41) POLBALDH1A1

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-7803809-B2 Substituted pyrano [2,3-b] pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-09-28 US disclosed
US-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2010-05-13 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-20100120774-A1 Substituted Pyrano [2,3-b] Pyridinamine compounds as beta-secretase modulators and methods of use BACE1, APP, BACE2 MAPK8 4457/4885TDP1 440/4885POLB 2083/4885

“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.