SCHEMBL8256141

SCHEMBL8256141

O=C(c1ccc(Oc2ccc(C(=O)N3CCNCC3)cc2)cc1)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.66
HPGD P15428 4/20 0.59
HRH3 Q9Y5N1 1/20 0.55
SCN7A Q01118 2/20 0.54
KCNH2 Q12809 2/20 0.54
SCN9A Q15858 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
HTT P42858 1/20 0.52
SLC6A7 Q99884 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GABRD O14764 1/20 0.49

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
SCHEMBL8358137 0.89 SIGMAR1 (0.81) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL208986 0.86 HPGD (0.73) SIGMAR1HPGDMEN1POLBKMT2A
Piperazine SCHEMBL27980517 0.85 HPGD (0.71) SIGMAR1HPGDMEN1POLBKMT2A
SCHEMBL15244760 0.85 SCN9A (0.56) SIGMAR1HPGDHRH3SCN7AKCNH2
SCHEMBL28156671 0.83 SIGMAR1 (0.58) SIGMAR1HPGDHRH3MKNK1MKNK2
SCHEMBL8260488 0.83 SIGMAR1 (0.72) SIGMAR1HPGDMEN1POLBKMT2A
SCHEMBL3583338 0.83 HPGD (0.73) SIGMAR1HPGDMEN1KMT2AMKNK1
SCHEMBL5450590 0.82 HRH3 (0.60) SIGMAR1HPGDHRH3SCN7AKCNH2
SCHEMBL23140495 0.81 SIGMAR1 (0.76) SIGMAR1HPGDMKNK1MKNK2ALDH1A1
SCHEMBL4505138 0.81 SIGMAR1 (0.70) SIGMAR1HPGDMKNK1MKNK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 US disclosed
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 US disclosed
WO-2006136857-A1 DIHYDROPYRIMIDONE MULTIMERS AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 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-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors SERPINB1, ELANE, MPO SIGMAR1 4501/4885HPGD 199/4885HRH3 1705/4885
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use MRM1, ME2, SDHA SIGMAR1 3625/4885HPGD 193/4885HRH3 2865/4885

“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.