SCHEMBL4368961

SCHEMBL4368961

COc1ccc(N2CCN(C(=O)OC(C)(C)C)C(C(O)C(N)Cc3cc(F)cc(F)c3)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.37
▸ LIPE Q05469 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ CTSD P07339 1/20 0.35
▸ CTSE P14091 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ MCHR1 Q99705 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
SCHEMBL4368964 1.00 ROCK2 (0.37) ROCK2LIPESMN1; SMN2LMNAMAPT
SCHEMBL4359842 0.84 ADORA2A (0.36) ROCK2LIPELMNABACE1NR1H2
SCHEMBL4359839 0.84 ADORA2A (0.36) ROCK2LIPELMNABACE1NR1H2
SCHEMBL4360218 0.80 BACE1 (0.35) DPP4BACE1
SCHEMBL4360221 0.80 BACE1 (0.35) DPP4BACE1
SCHEMBL13341721 0.80 BACE1 (0.44) DPP4BACE1CTSDCTSE
SCHEMBL12741940 0.80 BACE1 (0.44) DPP4BACE1CTSDCTSE
SCHEMBL12854798 0.80 BACE1 (0.44) DPP4BACE1CTSDCTSE
SCHEMBL12264741 0.75 BACE1 (0.40) DPP4BACE1CTSDCTSE
SCHEMBL8292924 0.75 BACE1 (0.41) BACE1CTSDCTSE

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 ROCK2 591/4885LIPE 3188/4885SMN1; SMN2 692/4885

“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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