SCHEMBL5510085

SCHEMBL5510085

FC(F)(F)c1nc2c(OCCN3CCN(c4cccc5[nH]c(C6CCCCC6)nc45)CC3)cccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 15/20 0.80
HTR1A P08908 4/20 0.80
HTR1D P28221 1/20 0.80
HTR1B P28222 1/20 0.80
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
TIPARP Q7Z3E1 1/20 0.39
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL5510151 0.87 GNRHR (0.75) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5505317 0.81 GNRHR (0.84) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5505168 0.81 GNRHR (0.82) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5514842 0.80 GNRHR (0.81) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5510746 0.80 GNRHR (0.83) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5510196 0.80 GNRHR (0.83) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5509019 0.80 GNRHR (0.85) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5503880 0.80 GNRHR (0.82) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5506513 0.80 GNRHR (0.83) GNRHRHTR1AHTR1DHTR1BDRD2
SCHEMBL5515289 0.80 GNRHR (0.82) GNRHRHTR1AHTR1DHTR1BDRD2

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
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP claimed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO claimed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 US claimed
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 339/4885HTR1D 489/4885

“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.