SCHEMBL2116279

SCHEMBL2116279

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC2(c3cccc(Br)c3)CCOCC2S1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.33
USP30 Q70CQ3 2/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 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
SCHEMBL2109553 1.00 BACE1 (0.33) BACE1USP30CHRNA1CHRNGCHRNB1
SCHEMBL2620081 0.74 BACE1 (0.38) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16418277 0.74 BACE1 (0.38) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2934861 0.74 BACE1 (0.38) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2119277 0.72
SCHEMBL2107447 0.72
SCHEMBL4082804 0.72 BACE1 (0.41) BACE1
SCHEMBL10154566 0.72 BACE1 (0.41) BACE1
SCHEMBL966555 0.71 HCRTR1 (0.37) BACE1USP30
SCHEMBL12851582 0.71 HCRTR1 (0.37) BACE1USP30

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-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 (2 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885USP30 2761/4885CHRNA1 713/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885USP30 2761/4885CHRNA1 713/4885

“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.