SCHEMBL3877193

SCHEMBL3877193

CC(C)(C)OC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
PTGES O14684 2/20 0.44
CETP P11597 4/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
BACE1 P56817 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
SLC1A5 Q15758 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H3 Q13133 1/20 0.40
NR1I2 O75469 1/20 0.39

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
SCHEMBL13760898 1.00 TRPM8 (0.45) TRPM8PTGESCETPPPARGPPARA
SCHEMBL3877197 1.00 TRPM8 (0.45) TRPM8PTGESCETPPPARGPPARA
SCHEMBL3885011 0.90 PSEN1 (0.39) CETPBACE1PSEN1PSEN2APH1B
SCHEMBL3885010 0.90 PSEN1 (0.39) CETPBACE1PSEN1PSEN2APH1B
SCHEMBL13760900 0.90 PSEN1 (0.39) CETPBACE1PSEN1PSEN2APH1B
SCHEMBL13766137 0.88 BACE1 (0.43) PTGESBACE1PSEN1PSEN2APH1B
SCHEMBL3877183 0.88 PSEN1 (0.49) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL13760896 0.88 PSEN1 (0.49) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL3877186 0.88 PSEN1 (0.49) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL3877090 0.85 PTGES (0.43) PTGESCETPBACE1SLC1A5PSEN1

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
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 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-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 TRPM8 4323/4885PTGES 1690/4885CETP 1253/4885

“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.