SCHEMBL3858438

SCHEMBL3858438

CCCN(C)C(=O)c1cc(CO)cc(C(=O)OCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.45
PRKCD Q05655 3/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
PTPN11 Q06124 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3854418 0.91 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3854890 0.91 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL5155516 0.89 CYP4F2 (0.45) PRKCAPRKCDCA12CA1CA2
SCHEMBL3853839 0.88 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3353303 0.87 PRKCA (0.46) PRKCAPRKCDCA12CA1CA2
SCHEMBL5158703 0.87 CYP2C9 (0.38) PRKCAPRKCDCA12CA1CA2
SCHEMBL3853793 0.86 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL3859499 0.86 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3854290 0.86 CYP2C19 (0.51) CA12CA1CA2CA7CA9
SCHEMBL13307502 0.85 CA12 (0.49) PRKCAPRKCDCA12CA1CA2

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-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL 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 PRKCA 1786/4885PRKCD 2912/4885CA12 330/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 PRKCA 1545/4885PRKCD 1772/4885CA12 2516/4885

“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.