SCHEMBL5487119

SCHEMBL5487119

CC(N)C(=O)Nc1cc(C(C)(C)c2cc(F)cc(F)c2)n[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.33
XIAP P98170 5/20 0.32
BIRC2 Q13490 2/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL13041518 0.84 TAAR1 (0.42) XIAPBIRC2TAAR1
SCHEMBL5487725 0.84 TAAR1 (0.42) XIAPBIRC2TAAR1
SCHEMBL8317295 0.83 SLC6A3 (0.32) SLC6A3
SCHEMBL2959039 0.83 SLC6A3 (0.32) SLC6A3
SCHEMBL13041333 0.82 SLC6A3 (0.32) SLC6A3
SCHEMBL2961130 0.82 SLC6A3 (0.32) SLC6A3
SCHEMBL13265592 0.82 SLC6A3 (0.32) SLC6A3
SCHEMBL2955111 0.81 PSEN1 (0.38) SLC6A3
SCHEMBL12966143 0.81 PSEN1 (0.38) SLC6A3
SCHEMBL8320230 0.81 PSEN1 (0.38) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511267-A1 3-((N-ACYLATED AMINOACYL)AMINO)PYRAZOLES AS INHIBITORS OF BETA-AMYLOID PEPTIDE PRODUCTION USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals Inc. (US) 2012-10-17 EP claimed
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds ELAN PHARMACEUTICALS, INC. (US) 2007-08-23 US claimed

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-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A SLC6A3 1749/4885XIAP 3372/4885BIRC2 2294/4885

“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.