SCHEMBL3278565

SCHEMBL3278565

FC(F)(F)C(c1ccc(-c2nc3cccc(N4CCN(Cc5cnc6ccccc6n5)CC4)c3[nH]2)cc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.55
GNRHR P30968 15/20 0.45
HTR7 P34969 1/20 0.41
FAAH O00519 1/20 0.38
TACR2 P21452 1/20 0.37
HRH2 P25021 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL3274298 0.83 GNRHR (0.57) HTR1AGNRHRTACR2HRH2OPRM1
SCHEMBL3278448 0.81 GNRHR (0.47) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5252319 0.73 GNRHR (0.57) HTR1AGNRHRTACR2HRH2OPRM1
SCHEMBL3274884 0.73 GNRHR (0.71) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3276295 0.70 GNRHR (0.56) HTR1AGNRHRTACR2HRH2OPRM1
SCHEMBL3281397 0.69 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275300 0.69 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4466391 0.69 GNRHR (0.58) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4459877 0.68 GNRHR (0.63) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274996 0.68 GNRHR (0.52) GNRHRTACR2HRH2OPRM1OPRD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US claimed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP claimed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US claimed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO claimed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR HTR1A 285/4885GNRHR 1/4885HTR7 317/4885

“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.