SCHEMBL1798770

SCHEMBL1798770

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.32
EDNRB P24530 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 2/20 0.31
MAPK8 P45983 1/20 0.31
CTSA P10619 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1799870 0.87 NPC1 (0.31) TDP1CNR2
SCHEMBL2768616 0.81 MAPK8 (0.33) EDNRATDP1MAPK8ALDH1A1
SCHEMBL1794725 0.79 MAPK8 (0.35) EDNRAEDNRBTDP1CNR2MAPK8
SCHEMBL1795615 0.74 NPC1 (0.30)
SCHEMBL1801475 0.73 CNR2 (0.34) EDNRAEDNRBTDP1CNR2MAPK8
SCHEMBL1798771 0.71 CNR2 (0.36) EDNRAEDNRBCNR2CTSA
SCHEMBL1797443 0.69 CMA1 (0.38) MAPK8
SCHEMBL1799689 0.68 CTSK (0.36) TDP1MAPK8
SCHEMBL2078612 0.65 CYP3A4 (0.45) ALDH1A1
SCHEMBL5018742 0.63 TAAR1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7951838-B2 Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-05-31 US disclosed
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 EDNRA 1670/4885EDNRB 1185/4885TDP1 440/4885

“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.