SCHEMBL3275327

SCHEMBL3275327

CC[C@H]1CN(c2cccc3nc(-c4ccc(N(CC)CC)cc4)[nH]c23)CCN1Cc1ccc2nccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.46
TACR2 P21452 1/20 0.46
HRH2 P25021 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CXCR3 P49682 1/20 0.35
MAOB P27338 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ACHE P22303 2/20 0.32
KDR P35968 1/20 0.31
CHEK2 O96017 3/20 0.31
BCHE P06276 1/20 0.31
OGA O60502 1/20 0.31
AURKA O14965 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3281696 0.88 GNRHR (0.58) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3274145 0.78 GNRHR (0.48) GNRHRDRD2DRD3ACHE
SCHEMBL3274171 0.76 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3279458 0.74 GNRHR (0.58) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL13324654 0.73 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3282294 0.70 GNRHR (0.58) GNRHR
SCHEMBL3274298 0.70 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275478 0.70 GNRHR (0.49) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275109 0.69 GNRHR (0.60) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275114 0.69 GNRHR (0.77) GNRHRTACR2HRH2OPRM1OPRD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US claimed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP claimed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US claimed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO claimed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO 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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR GNRHR 1/4885TACR2 137/4885HRH2 509/4885

“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.