SCHEMBL14508447

SCHEMBL14508447

CN[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(Br)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.59
CTSD P07339 10/20 0.59
CYP3A4 P08684 1/20 0.57

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
SCHEMBL3172037 0.88 BACE1 (0.77) BACE1CTSDCYP3A4
SCHEMBL3168249 0.88 BACE1 (0.77) BACE1CTSDCYP3A4
SCHEMBL3167544 0.88 BACE1 (0.77) BACE1CTSDCYP3A4
Hydrochloric Acid SCHEMBL3175823 0.87 BACE1 (0.75) BACE1CTSDCYP3A4
Hydrochloric Acid SCHEMBL3175815 0.87 BACE1 (0.75) BACE1CTSDCYP3A4
SCHEMBL3353712 0.87 BACE1 (0.64) BACE1CTSDCYP3A4
SCHEMBL3353705 0.87 BACE1 (0.64) BACE1CTSDCYP3A4
SCHEMBL13316013 0.85 BACE1 (0.52) BACE1CTSDCYP3A4
SCHEMBL14508445 0.85 BACE1 (0.60) BACE1CTSDCYP3A4
SCHEMBL3503456 0.84 BACE1 (0.80) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105921-A1 Process for Preparing Oxazole Intermediates PHARMACIA & UPJOHN COMPANY 2007-05-10 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-20070105921-A1 Process for Preparing Oxazole Intermediates OXA1L, SOD1, PSEN1 BACE1 7/4885CTSD 3891/4885CYP3A4 104/4885

“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.