SCHEMBL166402

SCHEMBL166402

Cc1cc(C2CCCN2C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CNCc3cccc(C(F)(F)F)c3)c2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53
CTSD P07339 19/20 0.53
BACE2 Q9Y5Z0 19/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL255927 1.00 BACE1 (0.53) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL10143717 0.94 BACE1 (0.56) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL165255 0.92 BACE1 (0.52) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL165254 0.92 BACE1 (0.52) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL165991 0.91 BACE1 (0.56) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL716702 0.91 BACE1 (0.56) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL166863 0.91 BACE1 (0.54) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL166862 0.91 BACE1 (0.54) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL718961 0.91 BACE1 (0.56) BACE1CTSDBACE2CYP3A4CYP2D6
SCHEMBL164641 0.91 BACE1 (0.56) BACE1CTSDBACE2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP claimed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO claimed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US claimed
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 138/4885BACE2 1/4885

“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.