SCHEMBL4832528

SCHEMBL4832528

CC(C)(C)OC(=O)N1CCN(C(=O)Cc2csc(NC(=O)OCc3ccccc3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.47
BACE1 P56817 1/20 0.46
P2RX7 Q99572 8/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL13934276 0.82 GPR119 (0.50) BACE1MAPK1MAPT
SCHEMBL28396378 0.81 SIRT1 (0.49) MEN1KMT2AMAPT
SCHEMBL30932919 0.78 HSD11B1 (0.52) MAPK1
SCHEMBL3535916 0.78 F2 (0.68) ACKR3MEN1KMT2AMAPK1MAPT
SCHEMBL4832627 0.78 ALDH1A1 (0.59) MAPK1
SCHEMBL4832210 0.77 SIGMAR1 (0.42) ACKR3MAPK1MAPT
SCHEMBL10349418 0.77 TP53 (0.56) MAPK1MAPT
SCHEMBL4873516 0.77 MAPK1 (0.56) MEN1KMT2AMAPK1
SCHEMBL18751212 0.76 SIGMAR1 (0.60) BACE1P2RX7MEN1KMT2A
SCHEMBL3049200 0.76 SIGMAR1 (0.60) BACE1P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
CN-1438999-A Serine protease inhibitors LILLY CO ELI (US) 2003-08-27 CN disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 ACKR3 1738/4885BACE1 134/4885P2RX7 3718/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACKR3 3800/4885BACE1 170/4885P2RX7 3815/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACKR3 3800/4885BACE1 170/4885P2RX7 3815/4885

“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.