SCHEMBL1797387

SCHEMBL1797387

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TAAR1 Q96RJ0 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
PAX8 Q06710 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL2769284 0.83 ALKBH1 (0.33) TSHRNPSR1ALDH1A1SMN1; SMN2GAA
SCHEMBL2176326 0.80 SLC1A1 (0.37) NPSR1ALDH1A1HPGDATM
SCHEMBL1799692 0.80 CYP3A4 (0.45) CYP3A4CYP2D6NPSR1ALDH1A1SMN1; SMN2
SCHEMBL12015403 0.80 CYP3A4 (0.52) CYP3A4CYP2D6NPSR1SMN1; SMN2TAAR1
SCHEMBL2078612 0.77 CYP3A4 (0.45) CYP3A4CYP2D6TSHRNPSR1ALDH1A1
SCHEMBL25302498 0.76 TAAR1 (0.52) CYP3A4CYP2D6TSHRNPSR1ALDH1A1
SCHEMBL25302497 0.76 TAAR1 (0.52) CYP3A4CYP2D6TSHRNPSR1ALDH1A1
SCHEMBL2078006 0.76 PTGES (0.33)
SCHEMBL2078009 0.76 PTGES (0.33)
SCHEMBL15304448 0.76 CYP3A4 (0.43) CYP3A4CYP2D6NPSR1SMN1; SMN2TAAR1

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 788/4885CYP2D6 764/4885TSHR 2290/4885

“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.