SCHEMBL5511239

SCHEMBL5511239

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.57
PARP1 P09874 6/20 0.48
DHODH Q02127 1/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45

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 0.92 GNRHR (0.61) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL5511970 0.91 GNRHR (0.57) GNRHRPARP1DHODHMAPTDRD2
SCHEMBL5511248 0.90 GNRHR (0.63) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL5512568 0.90 GNRHR (0.63) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL5507824 0.90 GNRHR (0.62) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL5508544 0.89 GNRHR (0.57) GNRHRPARP1DHODHMAPTKMT2A
SCHEMBL5512223 0.89 GNRHR (0.59) GNRHRPARP1DHODHHDAC6MGAM
SCHEMBL5508464 0.89 GNRHR (0.58) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL5506315 0.89 GNRHR (0.61) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL5504145 0.89 GNRHR (0.56) GNRHRPARP1DHODHMAPTMEN1

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 1/4885PARP1 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.