SCHEMBL5503629

SCHEMBL5503629

CC(C)(C)OC(=O)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.54
HTR1A P08908 2/20 0.54
RXFP1 Q9HBX9 1/20 0.49
EPHX2 P34913 5/20 0.45
DRD2 P14416 5/20 0.44
DRD3 P35462 4/20 0.44
DRD4 P21917 1/20 0.41
ABCB1 P08183 1/20 0.41
VCP P55072 1/20 0.41

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
SCHEMBL2157285 0.76 KDM4E (0.55) RXFP1EPHX2DRD2DRD3ABCB1
SCHEMBL30824828 0.76 RXFP1 (0.52) RXFP1EPHX2DRD2DRD3ABCB1
SCHEMBL27390612 0.76 RXFP1 (0.52) RXFP1EPHX2DRD2DRD3ABCB1
SCHEMBL16676642 0.76 RXFP1 (0.61) HTR1ARXFP1EPHX2DRD2DRD3
SCHEMBL29079559 0.74 EPHX2 (0.50) RXFP1EPHX2ABCB1
SCHEMBL29768191 0.74 EPHX2 (0.50) RXFP1EPHX2ABCB1
SCHEMBL5524088 0.73 GNRHR (0.64) GNRHRHTR1ADRD2DRD3DRD4
SCHEMBL18135536 0.73 KCNA5 (0.64) EPHX2DRD2DRD3
SCHEMBL16674535 0.73 RXFP1 (0.56) RXFP1EPHX2DRD2DRD3ABCB1
SCHEMBL2165368 0.73 SQOR (0.55) RXFP1EPHX2DRD2DRD3ABCB1

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
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP disclosed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO disclosed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 US 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-20060111355-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, LHCGR, GHRHR GNRHR 1/4885HTR1A 339/4885RXFP1 36/4885

“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.