SCHEMBL21764302

SCHEMBL21764302

N[C@@]1(c2ccccc2F)CO[C@H](CCF)[C@H]1CO

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.37
BACE2 Q9Y5Z0 3/20 0.31
KCNN4 O15554 1/20 0.31
HDAC4 P56524 2/20 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
SCHEMBL11299467 0.90 BACE1 (0.38) BACE1BACE2KCNN4
SCHEMBL2619878 0.86 BACE1 (0.38) BACE1BACE2
SCHEMBL11886506 0.86 BACE1 (0.38) BACE1BACE2
SCHEMBL2108934 0.82 BACE1 (0.41) BACE1BACE2
SCHEMBL2619902 0.82 BACE1 (0.41) BACE1BACE2
SCHEMBL2631695 0.82 BACE1 (0.41) BACE1BACE2
SCHEMBL16433657 0.82 BACE1 (0.41) BACE1BACE2
SCHEMBL21764512 0.81 BACE1 (0.38) BACE1BACE2
SCHEMBL21764519 0.81 BACE1 (0.38) BACE1BACE2
SCHEMBL18597912 0.80 BACE1 (0.39) BACE1BACE2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 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-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS BACE1, APP, PSEN1 BACE1 1/4885BACE2 4/4885KCNN4 2023/4885

“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.