SCHEMBL3854548

SCHEMBL3854548

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HSP90AA1 P07900 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36

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
SCHEMBL5176861 0.87 LMNA (0.34) LMNAHSD17B10ACACBKDM4EALDH1A1
SCHEMBL3854874 0.84 NOTUM (0.48) LMNAHSD17B10ACACBKDM4EALDH1A1
SCHEMBL3857713 0.84 HCAR3 (0.40) ACACBKDM4EALDH1A1CA12CA2
SCHEMBL3886309 0.84 LMNA (0.43) LMNAHSD17B10ACACBKDM4EALDH1A1
SCHEMBL3861714 0.84 LMNA (0.42) LMNAHSD17B10ACACBKDM4EALDH1A1
SCHEMBL3355550 0.83 LMNA (0.42) LMNAHSD17B10ACACBKDM4EALDH1A1
SCHEMBL3854478 0.83 LMNA (0.42) LMNAHSD17B10KDM4EALDH1A1CA12
SCHEMBL3858278 0.83 LMNA (0.41) LMNAHSD17B10ACACBKDM4EALDH1A1
SCHEMBL5156464 0.81 SLC7A5 (0.41) LMNAHSD17B10ACACBKDM4EALDH1A1
SCHEMBL3855535 0.80 LMNA (0.41) LMNAHSD17B10ACACBKDM4EALDH1A1

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL 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 1677/4885HSD17B10 942/4885ACACB 170/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 LMNA 2877/4885HSD17B10 2063/4885ACACB 2753/4885

“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.