SCHEMBL3855487

SCHEMBL3855487

CCCN(C)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
BACE1 P56817 4/20 0.39
HCAR3 P49019 1/20 0.37
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3855074 0.85 HCAR3 (0.49) ALDH1A1KMT2AMEN1TSHRBACE1
SCHEMBL3858500 0.85 LMNA (0.38) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL3854447 0.82 POLB (0.39) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL3855490 0.81 LMNA (0.35) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL3857572 0.80 ALDH1A1 (0.43) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL2018841 0.79 KDM4E (0.42) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL5159403 0.78 BACE1 (0.42) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL3854398 0.76 BACE1 (0.38) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL3854401 0.76 BACE1 (0.38) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL5159399 0.76 HCAR3 (0.38) KDM4EALDH1A1KMT2ALMNAL3MBTL1

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-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

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 KDM4E 453/4885ALDH1A1 661/4885KMT2A 619/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 KDM4E 1975/4885ALDH1A1 1523/4885KMT2A 2934/4885

“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.