SCHEMBL25916019

SCHEMBL25916019

CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C(F)F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 1.00
CTSD P07339 15/20 1.00
CYP3A4 P08684 1/20 1.00

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
SCHEMBL5578995 1.00 BACE1 (1.00) BACE1CTSDCYP3A4
SCHEMBL4699197 0.92 BACE1 (1.00) BACE1CTSDCYP3A4
SCHEMBL8240523 0.92 BACE1 (0.84) BACE1CTSDCYP3A4
SCHEMBL5666471 0.89 BACE1 (0.93) BACE1CTSDCYP3A4
SCHEMBL6040959 0.89 BACE1 (0.93) BACE1CTSDCYP3A4
SCHEMBL3177992 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL13315987 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3171968 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3168303 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL4701357 0.87 BACE1 (0.83) BACE1CTSDCYP3A4

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
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 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 (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-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885CTSD 354/4885CYP3A4 4601/4885

“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.