SCHEMBL2174787

SCHEMBL2174787

CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(C[C@H]3CCCO3)cc21

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.80
CTSD P07339 5/20 0.78

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
SCHEMBL2174792 1.00 BACE1 (0.80) BACE1CTSD
SCHEMBL2175731 1.00 BACE1 (0.80) BACE1CTSD
SCHEMBL3582102 1.00 BACE1 (0.80) BACE1CTSD
SCHEMBL2175737 1.00 BACE1 (0.80) BACE1CTSD
SCHEMBL3582103 0.93 BACE1 (0.68) BACE1CTSD
SCHEMBL3592037 0.92 BACE1 (0.67) BACE1CTSD
SCHEMBL3572706 0.91 BACE1 (0.69) BACE1CTSD
SCHEMBL3569952 0.91 BACE1 (0.69) BACE1CTSD
SCHEMBL3592034 0.91 BACE1 (0.69) BACE1CTSD
SCHEMBL3569958 0.91 BACE1 (0.69) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US claimed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 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 (2 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885CTSD 166/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP BACE1 1/4885CTSD 166/4885

“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.