SCHEMBL4549190

SCHEMBL4549190

CC#Cc1cc(-c2csc([C@]3(C)CC(=O)N(C)C(=N)N3)c2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.41
CTSD P07339 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
SCHEMBL4559929 0.86 BACE1 (0.37) BACE1
SCHEMBL4549195 0.86 BACE1 (0.41) BACE1CTSD
SCHEMBL7574304 0.84 BACE1 (0.36) BACE1
SCHEMBL4549188 0.84 BACE1 (0.46) BACE1CTSD
SCHEMBL8414776 0.79 BACE1 (0.38) BACE1
SCHEMBL4549145 0.78 BACE1 (0.64) BACE1CTSD
SCHEMBL4549165 0.78 BACE1 (0.45) BACE1CTSD
SCHEMBL7605308 0.77 BACE1 (0.40) BACE1CTSD
SCHEMBL4549156 0.77 BACE1 (0.48) BACE1CTSD
SCHEMBL7584120 0.77 BACE1 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644600-B1 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
US-8629155-B2 Aspartyl protease inhibitors MERCK SHARP & DOHME, CORP. (US) 2014-01-14 US disclosed
US-8629155-B2 Aspartyl protease inhibitors MERCK SHARP & DOHME, CORP. (US) 2014-01-14 US disclosed
EP-2644600-A1 Heterocyclic aspartyl protease inhibitors Merck Sharp & Dohme Corp. (US) 2013-10-02 EP disclosed
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885CTSD 144/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885CTSD 144/4885

“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.