SCHEMBL4227314

SCHEMBL4227314

COc1nc(NC2CN(C)C2)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.33
LCK P06239 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CACNA1F O60840 1/20 0.32
CHRM4 P08173 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
TACR1 P25103 1/20 0.32
PTAFR P25105 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
AGTR1 P30556 1/20 0.32
GNRHR P30968 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4231833 0.92 LCK (0.41) LCKCACNA1FCHRM4ADORA3CHRM1
SCHEMBL4236143 0.90 NLRP3 (0.34) NLRP3GSK3ATSHRHTTBRAF
SCHEMBL4236135 0.88 BRD4 (0.36) NLRP3LCKPTK2GSK3ABRAF
SCHEMBL4228320 0.87 NLRP3 (0.33) NLRP3HCRTR1HCRTR2TSHRHTT
SCHEMBL4231616 0.86 BRAF (0.34) LCKPTK2GSK3AKCNQ3KCNQ2
SCHEMBL4231566 0.86 NLRP3 (0.37) NLRP3LCKGNRHRTSHRHTT
SCHEMBL4226331 0.85 LCK (0.33) LCKHCRTR1HCRTR2CACNA1FCHRM4
SCHEMBL4232913 0.83 CSF1R (0.36) NLRP3LCKCSF1RBRAF
SCHEMBL4241626 0.82 GNRHR (0.43) LCKHCRTR2CACNA1FCHRM4ADORA3
SCHEMBL4231637 0.82 GNRHR (0.43) NLRP3LCKHCRTR2CACNA1FCHRM4

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 7 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 claimed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP claimed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO claimed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US 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 NLRP3 3350/4885LCK 3599/4885HCRTR1 15/4885

“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.