SCHEMBL3854296

SCHEMBL3854296

CCCN(C)C(=O)c1cncc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HCAR2 Q8TDS4 5/20 0.47
POLB P06746 1/20 0.47
HCAR3 P49019 4/20 0.45
LMNA P02545 1/20 0.43
DDO Q99489 1/20 0.43
NAMPT P43490 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PDK2 Q15119 1/20 0.38
CYP11B2 P19099 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
SCHEMBL5127047 0.85 CYP2C9 (0.53) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL3854271 0.84 HCAR3 (0.44) KMT2AALDH1A1MEN1HCAR3NAMPT
SCHEMBL3860560 0.83 ATM (0.51) KMT2AKDM4EALDH1A1CYP2C9CYP2C19
Butane SCHEMBL11036256 0.80 CYP2C9 (0.67) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL7662074 0.80 KMT2A (0.45) KMT2AKDM4EALDH1A1MEN1CYP2C9
SCHEMBL5037059 0.79 KMT2A (0.57) KMT2AALDH1A1MEN1HCAR3NAMPT
SCHEMBL3855652 0.79 HCAR3 (0.40) KMT2AALDH1A1MEN1HCAR3NAMPT
SCHEMBL13306259 0.79 TPMT (0.52) KMT2AALDH1A1MEN1HCAR2HCAR3
SCHEMBL3853797 0.79 HCAR3 (0.48) KDM4EALDH1A1CYP2C19HCAR2HCAR3
SCHEMBL3860120 0.77 TPMT (0.40) KMT2AKDM4EALDH1A1MEN1HCAR3

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