SCHEMBL1798771

SCHEMBL1798771

CC(C)(C)C(c1cc(Cl)c2c(c1)OCO2)[C@H](NC(=O)O)[C@H](O)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
GRM5 P41594 1/20 0.32
CTSA P10619 3/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ACVRL1 P37023 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
OGA O60502 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
SCHEMBL1799872 0.87 CNR2 (0.35) CNR2GRM5
SCHEMBL2768617 0.83 GRM5 (0.39) GRM5POLB
SCHEMBL1794725 0.76 MAPK8 (0.35) CNR2CTSAEDNRBEDNRANPC1
SCHEMBL1798770 0.71 EDNRA (0.32) CNR2CTSAEDNRBEDNRA
SCHEMBL1801475 0.70 CNR2 (0.34) CNR2EDNRBEDNRANPC1RAB9A
SCHEMBL1797443 0.66 CMA1 (0.38) GRM5NPC1RAB9ARXFP1POLB
SCHEMBL1799689 0.61 CTSK (0.36)
SCHEMBL5126789 0.61 CTSK (0.36) CNR2NPC1RAB9ARXFP1HPGD
SCHEMBL2768616 0.61 MAPK8 (0.33) EDNRAPOLB
SCHEMBL15689096 0.60 ADAM17 (0.41) CTSANPC1RAB9A

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 CNR2 334/4885GRM5 466/4885CTSA 650/4885

“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.