SCHEMBL4841380

SCHEMBL4841380

COc1ccccc1N(CC(=O)N1CCN(CCc2ccncc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SIGMAR1 Q99720 4/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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 0.86 POLB (0.49) POLBSIGMAR1THRBRXFP1MEN1
SCHEMBL4837016 0.84 POLB (0.49) POLBSIGMAR1THRBRXFP1MEN1
SCHEMBL6192958 0.83 SIGMAR1 (0.42) POLBSIGMAR1KDM4EALDH1A1HTT
SCHEMBL6191181 0.83 POLB (0.59) POLBSIGMAR1GAATHRBALDH1A1
SCHEMBL4837155 0.79 POLB (0.46) POLBSIGMAR1THRBRXFP1MEN1
SCHEMBL4832884 0.78 POLB (0.45) POLBSIGMAR1GAATHRBALDH1A1
Hydrochloric Acid SCHEMBL4840109 0.77 POLB (0.43) POLBSIGMAR1GAATHRBKDM4E
SCHEMBL4840596 0.76 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1HTR1ADRD2
SCHEMBL6423202 0.75 MAPT (0.44) POLBGAAKDM4EHTTMEN1
SCHEMBL4832556 0.74 GPR119 (0.57) POLBTHRBRXFP1MEN1KMT2A

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 2781/4885SIGMAR1 639/4885GAA 2144/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885SIGMAR1 3111/4885GAA 1005/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885SIGMAR1 3111/4885GAA 1005/4885

“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.