SCHEMBL4464004

SCHEMBL4464004

CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cnc6cccnc6n5)CC4)cccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.51
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

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
SCHEMBL4462994 0.91 GNRHR (0.61) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4469701 0.89 GNRHR (0.51) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL3275447 0.82 GNRHR (0.69) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4472122 0.80 GNRHR (0.63) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4472302 0.79 GNRHR (0.69) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4464659 0.76 GNRHR (0.68) GNRHR
SCHEMBL4467583 0.75 GNRHR (0.70) GNRHR
SCHEMBL3274884 0.74 GNRHR (0.71) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4484239 0.74 GNRHR (0.51) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4476578 0.73 TNF (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US claimed
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-23 US claimed

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-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor GNRHR, GHRHR, LHCGR GNRHR 1/4885TACR2 159/4885HRH2 554/4885

“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.