SCHEMBL13009648

SCHEMBL13009648

CC(C)(C)OC(=O)NC1=N[C@@]2(c3ccccc3F)CC[C@@H](F)C[C@H]2CS1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.37
BACE2 Q9Y5Z0 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
BDKRB1 P46663 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL15171433 1.00 BACE1 (0.37) BACE1BACE2KDM1AMAOBBDKRB1
SCHEMBL2631677 1.00 BACE1 (0.37) BACE1BACE2KDM1AMAOBBDKRB1
SCHEMBL2631720 1.00 BACE1 (0.37) BACE1BACE2KDM1AMAOBBDKRB1
SCHEMBL2620058 1.00 BACE1 (0.37) BACE1BACE2KDM1AMAOBBDKRB1
SCHEMBL2631717 0.91 BACE1 (0.37) BACE1BACE2KDM1AMAOB
SCHEMBL2620060 0.91 BACE1 (0.37) BACE1BACE2KDM1AMAOB
SCHEMBL2631675 0.91 BACE1 (0.37) BACE1BACE2KDM1AMAOB
SCHEMBL15171755 0.91 BACE1 (0.37) BACE1BACE2KDM1AMAOB
SCHEMBL13009642 0.91 BACE1 (0.37) BACE1BACE2KDM1AMAOB
SCHEMBL2619946 0.91 BACE1 (0.38) BACE1BACE2

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-8946210-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-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 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 1/4885BACE2 3/4885KDM1A 1829/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885KDM1A 1191/4885

“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.