SCHEMBL4549146

SCHEMBL4549146

C#Cc1cccc(-n2cc([C@]3(C)CC(=O)N(C)C(=N)N3)cn2)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
BACE1 P56817 1/20 0.32
MTOR P42345 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL7574379 0.90 BACE1 (0.41) BACE1GRM5
SCHEMBL4549144 0.89 BACE1 (0.35) BACE1MTORGRM5
SCHEMBL8433374 0.87 CYP1A2 (0.38) LMNAMTOR
SCHEMBL4549152 0.87 BACE1 (0.35) BACE1GRM5
SCHEMBL4549150 0.86 GRM5 (0.32) BACE1MTORGRM5
SCHEMBL7562202 0.86 ALDH1A1 (0.36) MTOR
SCHEMBL2959900 0.86 MTOR (0.32) MTOR
SCHEMBL2959902 0.86 MTOR (0.32) MTOR
SCHEMBL7556413 0.85 MTOR (0.37) LMNABACE1MTOR
SCHEMBL2959787 0.84 MGLL (0.34) BACE1MTOR

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
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-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-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
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 LMNA 2564/4885BACE1 3/4885MTOR 3058/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 LMNA 2564/4885BACE1 3/4885MTOR 3058/4885

“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.