SCHEMBL3349560

SCHEMBL3349560

CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)nn1CC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
CTSD P07339 3/20 0.60
BACE2 Q9Y5Z0 3/20 0.56

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
SCHEMBL3345338 0.94 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL3347377 0.89 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL13330166 0.89 BACE1 (0.46) BACE1CTSDBACE2
SCHEMBL3350277 0.88 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL3347838 0.86 BACE1 (0.50) BACE1CTSDBACE2
SCHEMBL3347835 0.86 BACE1 (0.50) BACE1CTSDBACE2
SCHEMBL3651936 0.86 BACE1 (0.50) BACE1CTSDBACE2
SCHEMBL3343382 0.84 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL18767148 0.84 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL3348116 0.84 BACE1 (0.51) BACE1CTSDBACE2

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-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
WO-2009027601-A2 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-03-05 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 (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-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 BACE1 3223/4885CTSD 2356/4885BACE2 4244/4885

“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.