SCHEMBL3860426

SCHEMBL3860426

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NTRK2 Q16620 1/20 0.38
NAMPT P43490 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HCAR3 P49019 4/20 0.36
KDM5A P29375 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK2 Q15119 1/20 0.36
BRD4 O60885 1/20 0.35
AOC3 Q16853 1/20 0.35
ACACB O00763 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL5155993 0.90 CYP2C9 (0.43) CA12CA9SMN1; SMN2MAPTRAB9A
SCHEMBL3854271 0.87 HCAR3 (0.44) CA12CA9NAMPTHCAR3SMN1; SMN2
SCHEMBL3855153 0.83 CA12 (0.42) CA12CA9NAMPTSMN1; SMN2MAPT
SCHEMBL13714731 0.82 BRD4 (0.44) CA12CA9SMN1; SMN2MAPTRAB9A
SCHEMBL3855652 0.81 HCAR3 (0.40) CA12CA9NAMPTHCAR3SMN1; SMN2
SCHEMBL13306259 0.81 TPMT (0.52) CA12CA9NAMPTHCAR3SMN1; SMN2
SCHEMBL3854441 0.80 TPMT (0.50) CA12CA9NAMPTHCAR3SMN1; SMN2
SCHEMBL3860120 0.80 TPMT (0.40) CA12CA9NAMPTHCAR3SMN1; SMN2
SCHEMBL5155614 0.80 TPMT (0.50) CA12CA9NAMPTHCAR3SMN1; SMN2
SCHEMBL3860730 0.79 MEN1 (0.40) CA12CA9NAMPTHCAR3SMN1; SMN2

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 6 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
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 CA12 330/4885CA9 85/4885NTRK2 165/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 CA12 2516/4885CA9 1227/4885NTRK2 406/4885

“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.