SCHEMBL5510445

SCHEMBL5510445

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc([N+](=O)[O-])c(F)c5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 17/20 0.60
TACR2 P21452 1/20 0.44
HRH2 P25021 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.43
DHODH Q02127 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL5502911 0.92 GNRHR (0.61) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5508472 0.91 GNRHR (0.59) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5508644 0.88 GNRHR (0.62) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5502838 0.88 GNRHR (0.64) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5509243 0.87 GNRHR (0.64) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5505120 0.83 GNRHR (0.53) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5507209 0.82 GNRHR (0.67) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5510747 0.82 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5508057 0.82 GNRHR (0.68) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5512342 0.82 GNRHR (0.68) 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 6 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
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 1/4885TACR2 102/4885HRH2 537/4885

“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.