SCHEMBL4235387

SCHEMBL4235387

COc1nc(NCC2CCCN2C(=O)OC(C)(C)C)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
OPRD1 P41143 1/20 0.39
PRMT5 O14744 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN3A Q9NY46 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
KDM1A O60341 1/20 0.37
PDE8B O95263 1/20 0.37
NPC1 O15118 2/20 0.36
APP P05067 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 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
SCHEMBL4237375 0.87 PDE8B (0.43) TRPV1OPRD1PRMT5SMN1; SMN2ALDH1A1
SCHEMBL1749679 0.78 GSK3A (0.46) TRPV1OPRD1PRMT5ALDH1A1KDM1A
SCHEMBL1749677 0.78 GSK3A (0.46) TRPV1OPRD1PRMT5ALDH1A1KDM1A
SCHEMBL18285458 0.76 OPRD1 (0.42) TRPV1OPRD1PRMT5ALDH1A1FPR3
SCHEMBL18285457 0.76 OPRD1 (0.42) TRPV1OPRD1PRMT5ALDH1A1FPR3
SCHEMBL15575473 0.74 KMT2A (0.50) TRPV1OPRD1PRMT5SMN1; SMN2ALDH1A1
SCHEMBL30181184 0.73 ALOX5AP (0.42) NPC1F2RL3
SCHEMBL1598122 0.73 HCRTR1 (0.49) OPRD1ALDH1A1APPHTR1AADRA2A
SCHEMBL12810103 0.73 FPR3 (0.49) TRPV1OPRD1PRMT5SMN1; SMN2ALDH1A1
SCHEMBL1598119 0.73 HCRTR1 (0.49) OPRD1ALDH1A1APPHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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 (1 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR TRPV1 2266/4885OPRD1 188/4885PRMT5 355/4885

“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.