SCHEMBL6001418

SCHEMBL6001418

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NS(=O)(=O)c6ccc(C(C)(C)C)cc6)cc5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.57
TACR2 P21452 1/20 0.52
HRH2 P25021 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL5511484 0.92 GNRHR (0.59) GNRHR
SCHEMBL5505945 0.92 GNRHR (0.61) GNRHR
SCHEMBL6000853 0.92 GNRHR (0.60) GNRHR
SCHEMBL5508708 0.90 GNRHR (0.56) GNRHR
SCHEMBL6001463 0.88 GNRHR (0.58) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5510910 0.88 GNRHR (0.62) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5513430 0.88 GNRHR (0.62) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5505132 0.87 GNRHR (0.57) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL5505192 0.86 GNRHR (0.55) GNRHR
SCHEMBL5505120 0.86 GNRHR (0.53) 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-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 1/4885TACR2 102/4885HRH2 537/4885

“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.