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SCHEMBL3854906

SCHEMBL3854906

CCCN(C)C(=O)c1cc(NC(C)=O)cc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 7/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPT P10636 3/20 0.43
▸ RECQL P46063 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ BLM P54132 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NAMPT P43490 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
SCHEMBL5159046 1.00 LMNA (0.52) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3886309 0.86 LMNA (0.43) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3854874 0.83 NOTUM (0.48) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3854478 0.82 LMNA (0.42) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3355550 0.82 LMNA (0.42) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3855627 0.82 POLB (0.50) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3857901 0.81 LMNA (0.40) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL8036267 0.81 KDM4E (0.62) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3855872 0.80 LMNA (0.42) LMNAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3854548 0.80 LMNA (0.43) LMNAKDM4EALDH1A1HSD17B10MAPT

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 8 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-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO 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 (2 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 LMNA 1677/4885KDM4E 453/4885ALDH1A1 661/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 LMNA 2877/4885KDM4E 1975/4885ALDH1A1 1523/4885

“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.