SCHEMBL2108032

SCHEMBL2108032

CC(C)(C)N(C(=O)O)C1=NC2(c3ccccc3F)CCC(F)CC2CS1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.38
OPRL1 P41146 2/20 0.31
KCNH2 Q12809 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
SCHEMBL2108515 1.00 BACE1 (0.38) BACE1OPRL1KCNH2
SCHEMBL2108034 1.00 BACE1 (0.38) BACE1OPRL1KCNH2
SCHEMBL2108641 0.96 BACE1 (0.36) BACE1
SCHEMBL2110301 0.96 BACE1 (0.36) BACE1
SCHEMBL2107019 0.91 BACE1 (0.38) BACE1OPRL1KCNH2
SCHEMBL2106872 0.91 BACE1 (0.38) BACE1OPRL1KCNH2
SCHEMBL2106876 0.91 BACE1 (0.38) BACE1OPRL1KCNH2
SCHEMBL2121649 0.90 BACE1 (0.39) BACE1KCNH2
SCHEMBL2121648 0.90 BACE1 (0.39) BACE1KCNH2
SCHEMBL2108012 0.87 BACE1 (0.36) BACE1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 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-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885OPRL1 1289/4885KCNH2 2010/4885

“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.