SCHEMBL6364242

SCHEMBL6364242

C[C@H](N)C(=O)NC1=C2C=CCC[C@H]2CC[N+](C)(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
SCHEMBL16110808 0.84
SCHEMBL6364988 0.77 XIAP (0.33) XIAPBIRC2
Hydrochloric Acid SCHEMBL7424704 0.76 XIAP (0.33) XIAPBIRC2
Hydrochloric Acid SCHEMBL6305086 0.76 XIAP (0.33) XIAPBIRC2
SCHEMBL7427846 0.73 PIK3CD (0.33) XIAPBIRC2
Hydrochloric Acid SCHEMBL7429831 0.73 PIK3CD (0.33) XIAPBIRC2
Hydrochloric Acid SCHEMBL6309974 0.73 PIK3CD (0.33) XIAPBIRC2
SCHEMBL7425403 0.64 XIAP (0.33) XIAP
SCHEMBL8330682 0.55 TAAR1 (0.37) XIAPBIRC2
SCHEMBL19548792 0.52 EPHX2 (0.33)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261495-A1 Lactam Compound AUDIA JAMES E 2005-11-24 US disclosed
US-20040248878-A1 Lactam compound KOENIG THOMAS MITCHELL (US) 2004-12-09 US disclosed
US-20040077627-A1 Lactam compound KOENIG THOMAS MITCHELL (US) 2004-04-22 US disclosed
EP-1353910-A2 LACTAM COMPOUND ELI LILLY AND COMPANY (US) 2003-10-22 EP disclosed
EP-1345955-A2 LACTAM DIPEPTIDE AND ITS USE IN INHIBITING BETA-AMYLOID PEPTIDE RELEASE ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
EP-1341531-A2 LACTAM COMPOUND TO INHIBIT BETA-AMYLOID PEPTIDE RELEASE OR SYNTHESIS ELI LILLY AND COMPANY (US) 2003-09-10 EP disclosed
WO-2002047671-A2 LACTAM COMPOUND TO INHIBIT BETA-AMYLOID PEPTIDE RELEASE OR SYNTHESIS ELI LILLY AND COMPANY (US) 2002-06-20 WO disclosed
WO-2002040508-A2 LACTAM DIPEPTIDE AND ITS USE IN INHIBITING BETA-AMYLOID PEPTIDE RELEASE ELI LILLY AND COMPANY (US) 2002-05-23 WO disclosed
WO-2002040451-A2 LACTAM COMPOUND ELI LILLY AND COMPANY (US) 2002-05-23 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 (3 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-20040077627-A1 Lactam compound AAAS, BCHE, CHLSN XIAP 3945/4885BIRC2 725/4885
US-20050261495-A1 Lactam Compound AAAS, MASTL, APH1B XIAP 2241/4885BIRC2 783/4885
US-20040248878-A1 Lactam compound AAAS, CHLSN, APH1B XIAP 2131/4885BIRC2 607/4885

“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.