SCHEMBL4356137

SCHEMBL4356137

CCC1CCCC(C(O)[C@@H](N)Cc2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ CETP P11597 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ STS P08842 1/20 0.36
▸ ACE P12821 1/20 0.35
▸ YAP1 P46937 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35

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
SCHEMBL5159239 0.93 L3MBTL1 (0.47) L3MBTL1ATMGPR119KMT2AKLK5
SCHEMBL4360263 0.85 CETP (0.40) L3MBTL1ATMGPR119CETPKMT2A
SCHEMBL2358236 0.83 GPR119 (0.39) L3MBTL1GPR119KMT2AMAPK1KLK5
SCHEMBL2358238 0.83 GPR119 (0.39) L3MBTL1GPR119KMT2AMAPK1KLK5
SCHEMBL476216 0.82 ABCB1 (0.40) GPR119MAPK1STSYAP1GAA
SCHEMBL476217 0.82 ABCB1 (0.40) GPR119MAPK1STSYAP1GAA
SCHEMBL3859795 0.81 KLK7 (0.47) L3MBTL1GPR119KMT2AMAPK1KLK5
SCHEMBL3855675 0.81 KLK7 (0.47) L3MBTL1GPR119KMT2AMAPK1KLK5
SCHEMBL2570206 0.81 KLK7 (0.47) L3MBTL1GPR119KMT2AMAPK1KLK5
SCHEMBL3855672 0.81 KLK7 (0.47) L3MBTL1GPR119KMT2AMAPK1KLK5

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 L3MBTL1 4137/4885ATM 4476/4885GPR119 528/4885

“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.

Send feedback