SCHEMBL5510133

SCHEMBL5510133

CC1CCCCN1C(=O)Nc1ccc(OCCN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.55
PARP1 P09874 1/20 0.48
DHODH Q02127 1/20 0.48
HTR2A P28223 1/20 0.47

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
SCHEMBL5510722 0.93 GNRHR (0.58) GNRHR
SCHEMBL5506794 0.92 GNRHR (0.55) GNRHRHTR2A
SCHEMBL5505391 0.92 GNRHR (0.56) GNRHRHTR2A
SCHEMBL5509728 0.90 GNRHR (0.54) GNRHRHTR2A
SCHEMBL6001555 0.90 GNRHR (0.59) GNRHRPARP1DHODH
SCHEMBL5514789 0.89 GNRHR (0.58) GNRHRPARP1DHODH
SCHEMBL5509844 0.89 GNRHR (0.58) GNRHRPARP1DHODH
SCHEMBL5508491 0.89 GNRHR (0.56) GNRHRHTR2A
SCHEMBL5503923 0.88 GNRHR (0.59) GNRHR
SCHEMBL5999751 0.87 GNRHR (0.54) GNRHRHTR2A

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.