SCHEMBL5502980

SCHEMBL5502980

C=CC(=O)Nc1ccc(OCCN2CCN(c3cccc4[nH]c(-c5ccc(CC)cc5)nc34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 13/20 0.61
PARP1 P09874 2/20 0.49
DHODH Q02127 1/20 0.49
DRD3 P35462 4/20 0.45
DRD2 P14416 3/20 0.45
CDK2 P24941 1/20 0.44
PRKCZ Q05513 1/20 0.44
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
SCHEMBL5512968 0.92 GNRHR (0.58) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL6001548 0.92 GNRHR (0.58) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5512962 0.92 GNRHR (0.58) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5511248 0.92 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5512568 0.92 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5507824 0.91 GNRHR (0.62) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5505140 0.91 GNRHR (0.57) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5508081 0.90 GNRHR (0.61) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5506315 0.90 GNRHR (0.61) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5507334 0.90 GNRHR (0.58) GNRHRPARP1DHODHDRD3DRD2

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
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 1/4885PARP1 3548/4885DHODH 2941/4885

“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.