SCHEMBL2620047

SCHEMBL2620047

COC1CCC2(c3ccccc3F)NOC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.36
HDAC4 P56524 3/20 0.32
DPP4 P27487 2/20 0.32
SIGMAR1 Q99720 3/20 0.32

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
SCHEMBL2933441 1.00 BACE1 (0.36) BACE1HDAC4DPP4SIGMAR1
SCHEMBL16976814 1.00 BACE1 (0.36) BACE1HDAC4DPP4SIGMAR1
SCHEMBL2933442 1.00 BACE1 (0.36) BACE1HDAC4DPP4SIGMAR1
SCHEMBL8028581 0.88 BACE1 (0.31) BACE1SIGMAR1
SCHEMBL8030125 0.88 BACE1 (0.31) BACE1SIGMAR1
SCHEMBL2619835 0.88 BACE1 (0.31) BACE1SIGMAR1
SCHEMBL2619833 0.88 BACE1 (0.31) BACE1SIGMAR1
SCHEMBL8030355 0.88 BACE1 (0.31) BACE1SIGMAR1
SCHEMBL2932891 0.86 BACE1 (0.34) BACE1SIGMAR1
SCHEMBL2631666 0.86 BACE1 (0.34) BACE1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885HDAC4 2401/4885DPP4 926/4885

“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.