SCHEMBL18097301

SCHEMBL18097301

ON=C(Cl)c1cnc(OCC2CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.38
BACE2 Q9Y5Z0 4/20 0.36
CTSD P07339 3/20 0.36
CNR2 P34972 6/20 0.35
ACHE P22303 2/20 0.34
GABRA1 P14867 1/20 0.33
ACACB O00763 1/20 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
SCHEMBL18097298 1.00 BACE1 (0.38) BACE1BACE2CTSDCNR2ACHE
SCHEMBL18097515 0.82 BACE1 (0.36) BACE1BACE2CTSDCNR2
SCHEMBL17394883 0.78 MAPT (0.37) BACE1
SCHEMBL17394884 0.78 MAPT (0.37) BACE1
SCHEMBL1975057 0.76 SIRT6 (0.41) BACE1BACE2CTSDCNR2GABRA1
SCHEMBL28408353 0.75 KDM1A (0.37) ACACB
SCHEMBL17395042 0.74 BACE1 (0.38) BACE1ACACB
SCHEMBL16833475 0.74 BACE1 (0.36) BACE1BACE2
SCHEMBL16463484 0.74 POLB (0.41) BACE1BACE2CTSDCNR2GABRA1
SCHEMBL16833478 0.74 BACE1 (0.36) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034687-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-06-15 US disclosed
US-20200308166-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2020-10-01 US disclosed
EP-3271355-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-29 EP disclosed
US-10723729-B2 BACE1 inhibitors Hoffmann-Le Roche Inc. (US) 2020-07-28 US disclosed
US-20190337936-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-11-07 US disclosed
US-10399969-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
US-20180319787-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2018-11-08 US disclosed
US-20180057485-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 US disclosed
EP-3271355-A1 BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2018-01-24 EP disclosed
WO-2016150785-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-09-29 WO 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 (7 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-20190337936-A1 BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 57/4885
US-10399969-B2 BACE1 inhibitors BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 57/4885
US-20180319787-A1 BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 57/4885
US-20200308166-A1 BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 57/4885
US-10723729-B2 BACE1 inhibitors BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 57/4885
US-20180057485-A1 BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 57/4885
US-11034687-B2 BACE1 inhibitors BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 57/4885

“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.