SCHEMBL3857943

SCHEMBL3857943

CCCN(CCC)C(=O)c1ccnc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM5B Q9UGL1 4/20 0.57
KDM4E B2RXH2 3/20 0.57
KDM5A P29375 3/20 0.57
MAPT P10636 2/20 0.57
KDM4C Q9H3R0 2/20 0.57
KDM6B O15054 2/20 0.57
KDM4A O75164 2/20 0.57
KDM5C P41229 2/20 0.57
TET3 O43151 1/20 0.57
BBOX1 O75936 1/20 0.57
ASPH Q12797 1/20 0.57
KDM4D Q6B0I6 1/20 0.57
TET2 Q6N021 1/20 0.57
ALKBH5 Q6P6C2 1/20 0.57
KDM7A Q6ZMT4 1/20 0.57
KDM8 Q8N371 1/20 0.57
TET1 Q8NFU7 1/20 0.57
EGLN2 Q96KS0 1/20 0.57
FTO Q9C0B1 1/20 0.57

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
SCHEMBL5156043 0.92 ALDH1A1 (0.49) ALDH1A1KDM5BKDM4EKDM5AMAPT
SCHEMBL16569986 0.91 ALDH1A1 (0.53) ALDH1A1KDM5BKDM4EKDM5AMAPT
SCHEMBL3854386 0.88 KDM5B (0.57) ALDH1A1KDM5BKDM4EKDM5AMAPT
SCHEMBL3807628 0.81 ALDH1A1 (0.49) ALDH1A1KDM5BKDM4EKDM5AMAPT
SCHEMBL3853630 0.80 HPGD (0.48) ALDH1A1KDM5BKDM5AMAPTKDM5C
SCHEMBL5808527 0.78 ALDH1A1 (0.69) ALDH1A1KDM5BKDM4EKDM5AMAPT
SCHEMBL11619832 0.75 HPGD (0.44) ALDH1A1KDM5BKDM4EKDM5AMAPT
SCHEMBL9540613 0.75 MLYCD (0.57) ALDH1A1KDM4EHPGDMLYCDTP53
SCHEMBL5808530 0.75 ALDH1A1 (0.65) ALDH1A1KDM5BKDM4EKDM5AMAPT
SCHEMBL18864231 0.75 MAPT (0.46) ALDH1A1KDM5BKDM4EKDM5AMAPT

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 ALDH1A1 661/4885KDM5B 332/4885KDM4E 453/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 ALDH1A1 1523/4885KDM5B 1044/4885KDM4E 1975/4885

“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.