SCHEMBL18623902

SCHEMBL18623902

CC1=N[C@](C)(c2ccccc2F)[C@@H](C)[C@@H](C(F)(F)F)O1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.33
BACE2 Q9Y5Z0 3/20 0.33
ACHE P22303 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
SCHEMBL18623867 0.83 BACE1 (0.30) BACE1BACE2
SCHEMBL18623927 0.80 BACE1 (0.38) BACE1BACE2
SCHEMBL18623866 0.78 BACE1 (0.33) BACE1BACE2
SCHEMBL18623903 0.76 BACE1 (0.30) BACE1
SCHEMBL18623915 0.76 BACE1 (0.31) BACE1BACE2
SCHEMBL18623904 0.76 BACE1 (0.33) BACE1BACE2
SCHEMBL18623916 0.76 BACE1 (0.32) BACE1BACE2
SCHEMBL15904555 0.73 BACE1 (0.49) BACE1BACE2
SCHEMBL15904594 0.73 BACE1 (0.49) BACE1BACE2
SCHEMBL17369224 0.71 BACE1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 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 (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-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885ACHE 170/4885

“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.