SCHEMBL5508028

SCHEMBL5508028

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(N(C(=O)O)c6ccccc6)c(Cl)c5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 12/20 0.55
DRD3 P35462 5/20 0.47
DRD2 P14416 4/20 0.47
PARP1 P09874 1/20 0.44
DHODH Q02127 1/20 0.44
DRD1 P21728 1/20 0.43
TACR2 P21452 1/20 0.42
HRH2 P25021 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL5508021 0.93 GNRHR (0.55) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5514682 0.86 GNRHR (0.58) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5507877 0.84 GNRHR (0.64) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5510727 0.84 GNRHR (0.61) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL6001622 0.82 GNRHR (0.58) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5505197 0.81 GNRHR (0.58) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5511248 0.81 GNRHR (0.63) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5512342 0.80 GNRHR (0.68) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5509131 0.80 GNRHR (0.57) GNRHRDRD3DRD2PARP1DHODH
SCHEMBL5516826 0.80 GNRHR (0.57) GNRHRDRD3DRD2PARP1DHODH

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 1/4885DRD3 651/4885DRD2 740/4885

“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.