SCHEMBL18636693

SCHEMBL18636693

CC(C)(C)OC(=O)NC1=N[C@](C)(c2ccccc2F)[C@@H](F)[C@@H](C(F)(F)C2CC2)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
CYP2D6 P10635 1/20 0.35
OPRL1 P41146 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CTSD P07339 1/20 0.32
RORC P51449 5/20 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
SCHEMBL18623915 0.78 BACE1 (0.31) BACE1BACE2OPRL1
SCHEMBL17169465 0.75 BACE1 (0.46) BACE1BACE2CYP2D6CTSD
SCHEMBL16176015 0.72 BACE1 (0.38) BACE1BACE2CYP2D6
SCHEMBL30088411 0.72 BACE1 (0.43) BACE1BACE2CYP2D6
SCHEMBL30088354 0.72 BACE1 (0.43) BACE1BACE2CYP2D6
SCHEMBL16176020 0.72 BACE1 (0.38) BACE1BACE2CYP2D6
SCHEMBL17169248 0.71 BACE1 (0.44) BACE1BACE2CYP2D6CTSD
SCHEMBL18636695 0.70 BACE1 (0.40) BACE1BACE2CYP2D6
SCHEMBL17118588 0.69 BACE1 (0.40) BACE1BACE2CYP2D6LMNAPOLB
SCHEMBL18636692 0.69 BACE1 (0.36) BACE1BACE2CYP2D6LMNA

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 2/4885CYP2D6 1572/4885

“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.