SCHEMBL4237375

SCHEMBL4237375

COc1nc(NCC2CCCN2C(=O)OC(C)(C)C)nc(OC)c1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN3A Q9NY46 1/20 0.42
OPRD1 P41143 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PRMT5 O14744 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SCN4A P35499 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
KDM1A O60341 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4235387 0.87 TRPV1 (0.39) PDE8BSCN5ASCN3AOPRD1TRPV1
SCHEMBL1598119 0.77 HCRTR1 (0.49) OPRD1ALDH1A1ALOX5APFEN1
SCHEMBL1598122 0.77 HCRTR1 (0.49) OPRD1ALDH1A1ALOX5APFEN1
SCHEMBL12810103 0.77 FPR3 (0.49) OPRD1TRPV1PRMT5ALDH1A1FPR3
SCHEMBL29326010 0.77 ALDH1A1 (0.41) PDE8BOPRD1TRPV1PRMT5ALDH1A1
SCHEMBL1597836 0.76 PRMT5 (0.44) OPRD1TRPV1PRMT5ALDH1A1FPR3
SCHEMBL1597840 0.76 PRMT5 (0.44) OPRD1TRPV1PRMT5ALDH1A1FPR3
SCHEMBL888987 0.76 PRMT5 (0.48) OPRD1TRPV1PRMT5FPR3FPR2
SCHEMBL1597402 0.76 NPC1 (0.48) OPRD1TRPV1PRMT5ALDH1A1FPR3
SCHEMBL1597407 0.76 NPC1 (0.48) OPRD1TRPV1PRMT5ALDH1A1FPR3

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 PDE8B 3459/4885SCN5A 1400/4885SCN3A 769/4885

“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.