SCHEMBL4233312

SCHEMBL4233312

COc1nc(NCC2CCCN2)nc(OC)c1NC(=O)c1coc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.38
BCDIN3D Q7Z5W3 1/20 0.35
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
SYK P43405 3/20 0.33
KCNH2 Q12809 3/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKB Q96GD4 1/20 0.33
SCN9A Q15858 3/20 0.33
DRD3 P35462 3/20 0.32
GNRHR P30968 2/20 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

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
SCHEMBL4236020 0.84 TDP1 (0.42) DRD2
SCHEMBL4233297 0.83 NLRP3 (0.36) NLRP3
SCHEMBL4236125 0.83 GNRHR (0.37) DRD3GNRHRCACNA1FCHRM4ADORA3
SCHEMBL13743552 0.83 GNRHR (0.37) DRD3GNRHRCACNA1FCHRM4ADORA3
SCHEMBL4236135 0.83 BRD4 (0.36) EHMT2NLRP3
SCHEMBL4232911 0.82 GNRHR (0.45) DRD3GNRHRCACNA1FCHRM4ADORA3
SCHEMBL4242158 0.82 GNRHR (0.36) SYKDRD3GNRHRCACNA1FCHRM4
SCHEMBL4231566 0.82 NLRP3 (0.37) GNRHRNLRP3
SCHEMBL4236499 0.82 GNRHR (0.37) EHMT2MAPK1DRD3GNRHRCACNA1F
SCHEMBL4236694 0.82 GNRHR (0.38) DRD3GNRHRCACNA1FCHRM4ADORA3

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 4 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
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 EHMT2 1464/4885BCDIN3D 1174/4885TLR9 3537/4885

“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.