SCHEMBL4837155

SCHEMBL4837155

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CCc2ccncc2)CC1)c1cncs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
THRB P10828 4/20 0.46
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
P2RX7 Q99572 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4836692 0.83 POLB (0.49) POLBTHRBRXFP1MEN1KMT2A
SCHEMBL4832884 0.82 POLB (0.45) POLBTHRBRXFP1MEN1KMT2A
Hydrochloric Acid SCHEMBL4832406 0.81 POLB (0.58) POLBTHRBSIGMAR1
SCHEMBL4837016 0.81 POLB (0.49) POLBTHRBRXFP1MEN1KMT2A
SCHEMBL4841380 0.79 POLB (0.50) POLBTHRBRXFP1MEN1KMT2A
SCHEMBL4840596 0.75 SIGMAR1 (0.46) SIGMAR1P2RX7
SCHEMBL6420418 0.75 MAPT (0.37) POLBTHRBLMNAGPR119
SCHEMBL4832556 0.74 GPR119 (0.57) POLBTHRBRXFP1MEN1KMT2A
SCHEMBL4837453 0.74 SIGMAR1 (0.42) POLBTHRBSIGMAR1P2RX7
SCHEMBL4832991 0.72 GSTO1 (0.34) GPR119

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-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
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
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US 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 POLB 2781/4885THRB 1735/4885RXFP1 566/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885THRB 4088/4885RXFP1 243/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885THRB 4088/4885RXFP1 243/4885

“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.