SCHEMBL4464663

SCHEMBL4464663

CCC(c1nc[nH]c1C)N1CCN(c2cccc3sc(-c4ccc(C(C)(C)C)cc4)nc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.39
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TACR2 P21452 1/20 0.36
HRH2 P25021 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4461702 0.87 GNRHR (0.37) GNRHRTNFNOD1TACR2HRH2
SCHEMBL4495184 0.77 GNRHR (0.57) GNRHR
SCHEMBL4476578 0.75 TNF (0.49) GNRHRTNFNOD1TACR2HRH2
SCHEMBL4467583 0.73 GNRHR (0.70) GNRHR
SCHEMBL4464659 0.71 GNRHR (0.68) GNRHR
SCHEMBL4462994 0.70 GNRHR (0.61) GNRHRTNFNOD1TACR2HRH2
SCHEMBL4472302 0.69 GNRHR (0.69) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4460127 0.69 GNRHR (0.71) GNRHR
SCHEMBL4464004 0.68 GNRHR (0.51) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4464223 0.67 GNRHR (0.72) GNRHR

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 1/4885TNF 1341/4885NOD1 2950/4885

“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.