SCHEMBL3345434

SCHEMBL3345434

CCn1nc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc1C(=O)N(CCCO)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.49
CTSD P07339 18/20 0.49
BACE2 Q9Y5Z0 17/20 0.49
BCHE P06276 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3342435 0.98 BACE1 (0.49) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3343958 0.97 BACE1 (0.49) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3343721 0.95 BACE1 (0.50) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3343340 0.94 BACE1 (0.49) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3344540 0.93 BACE1 (0.51) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3347377 0.87 BACE1 (0.53) BACE1CTSDBACE2BCHE
SCHEMBL3345338 0.87 BACE1 (0.55) BACE1CTSDBACE2BCHE
SCHEMBL3345573 0.85 BACE1 (0.55) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3343382 0.85 BACE1 (0.52) BACE1CTSDBACE2BCHE
SCHEMBL3348116 0.85 BACE1 (0.51) BACE1CTSDBACE2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185525-B1 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2016-12-14 EP 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

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.