SCHEMBL4233364

SCHEMBL4233364

CCOC(=O)CCNc1nc(OC)c(NC(=O)c2csc(Oc3cc(C(C)(C)C)ccc3C)n2)c(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GNRHR P30968 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
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

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
SCHEMBL4787118 0.97 TOP2A (0.35) TOP2ALMNANPSR1HSD17B10GNRHR
SCHEMBL13743595 0.91 GNRHR (0.34) LMNANPSR1HSD17B10GNRHRHPGD
SCHEMBL4228796 0.91 KDM4E (0.35) LMNANPSR1HSD17B10GNRHRHPGD
SCHEMBL13743435 0.91 GNRHR (0.35) LMNANPSR1HSD17B10GNRHRHPGD
SCHEMBL4237338 0.91 GNRHR (0.34) LMNANPSR1HSD17B10GNRHRCACNA1F
SCHEMBL4226409 0.90 IRAK4 (0.35) GNRHRHPGDCACNA1FCHRM4ADORA3
SCHEMBL4233435 0.89 GNRHR (0.35) LMNANPSR1HSD17B10GNRHRCACNA1F
SCHEMBL4236457 0.89 SYK (0.36) GNRHRHPGDTSHRCACNA1FCHRM4
SCHEMBL4231634 0.89 GNRHR (0.42) LMNAGNRHRHPGDTSHRCACNA1F
SCHEMBL13743549 0.88 GNRHR (0.35) GNRHRCACNA1FCHRM4ADORA3CHRM1

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 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
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 TOP2A 2822/4885LMNA 2647/4885NPSR1 25/4885

“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.