SCHEMBL5511970

SCHEMBL5511970

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NC(=O)CCc6ccccc6)cc5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.57
EPHX2 P34913 2/20 0.53
MMP2 P08253 4/20 0.49
MMP9 P14780 3/20 0.49
MMP8 P22894 3/20 0.49
MMP13 P45452 3/20 0.49
PARP1 P09874 1/20 0.47
DHODH Q02127 1/20 0.47
MGAM O43451 1/20 0.46
MAPK1 P28482 1/20 0.45
DRD3 P35462 3/20 0.45
DRD2 P14416 2/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL5508081 0.91 GNRHR (0.61) GNRHRPARP1DHODHMGAMDRD3
SCHEMBL5511248 0.91 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5511239 0.91 GNRHR (0.57) GNRHRPARP1DHODHMGAMDRD3
SCHEMBL5513777 0.90 GNRHR (0.55) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5512568 0.90 GNRHR (0.63) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5507824 0.89 GNRHR (0.62) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL6000829 0.89 GNRHR (0.57) GNRHRPARP1DHODHDRD3DRD2
SCHEMBL5508464 0.88 GNRHR (0.58) GNRHRPARP1DHODHMGAMDRD3
SCHEMBL5512223 0.88 GNRHR (0.59) GNRHRPARP1DHODHMGAM
SCHEMBL5506315 0.88 GNRHR (0.61) 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
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 1/4885EPHX2 4327/4885MMP2 4219/4885

“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.