SCHEMBL4359842

SCHEMBL4359842

COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)[C@H](Cc3cc(F)cc(F)c3)N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BACE1 P56817 5/20 0.35
▸ CETP P11597 3/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ LIPE Q05469 2/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ CCR3 P51677 1/20 0.33

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
SCHEMBL4359839 1.00 ADORA2A (0.36) ADORA2ALMNAHTTNPSR1TP53
SCHEMBL12741933 0.85 BACE1 (0.42) BACE1
SCHEMBL4368964 0.84 ROCK2 (0.37) LMNABACE1ROCK2MAPK1LIPE
SCHEMBL4368961 0.84 ROCK2 (0.37) LMNABACE1ROCK2MAPK1LIPE
SCHEMBL5311579 0.83 LMNA (0.34) ADORA2ALMNAHTTNPSR1TP53
SCHEMBL5311580 0.83 LMNA (0.34) ADORA2ALMNAHTTNPSR1TP53
SCHEMBL13675397 0.81 BACE1 (0.39) BACE1
SCHEMBL8293905 0.81 BACE1 (0.39) BACE1
SCHEMBL8292925 0.81 BACE1 (0.39) BACE1
SCHEMBL12742772 0.81 BACE1 (0.39) BACE1

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-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 — — US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP ADORA2A 3385/4885LMNA 1677/4885HTT 2451/4885

“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.

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