SCHEMBL1797388

SCHEMBL1797388

CC(C)(C)C(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccc2c(c1)OCO2)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 3/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL1799692 0.85 CYP3A4 (0.45) CYP3A4SMN1; SMN2TAAR1CYP2D6SLC6A2
SCHEMBL2769287 0.83 FAAH (0.36) SMN1; SMN2NPSR1ALDH1A1GAAMAPT
SCHEMBL2176328 0.81 CTSS (0.41) NPSR1ALDH1A1ATMBACE1
SCHEMBL2078615 0.80 CYP3A4 (0.45) CYP3A4SMN1; SMN2TAAR1CYP2D6SLC6A2
SCHEMBL2078007 0.77 PTGES (0.35) CYP3A4BACE1
SCHEMBL15304448 0.74 CYP3A4 (0.43) CYP3A4SMN1; SMN2TAAR1CYP2D6SLC6A2
SCHEMBL2628499 0.74 CYP3A4 (0.43) CYP3A4SMN1; SMN2TAAR1CYP2D6SLC6A2
SCHEMBL4357081 0.74 CYP3A4 (0.50) CYP3A4TAAR1CYP2D6SLC6A2SLC6A4
SCHEMBL12015403 0.72 CYP3A4 (0.52) CYP3A4SMN1; SMN2TAAR1CYP2D6SLC6A2
SCHEMBL25391472 0.72 TAAR1 (0.67) CYP3A4SMN1; SMN2TAAR1CYP2D6SLC6A2

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 CYP3A4 788/4885SMN1; SMN2 1407/4885TAAR1 1095/4885

“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.