SCHEMBL6477151

SCHEMBL6477151

COc1cccc(-n2c(=O)c(Cc3ccccc3S(C)(=O)=O)nn(CC(N)c3ccccc3)c2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 15/20 0.70
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL6485553 0.88 GNRHR (0.84) GNRHRCYP3A4
SCHEMBL6476663 0.87 GNRHR (0.85) GNRHRGAALMNA
SCHEMBL6485607 0.87 GNRHR (0.73) GNRHRGAALMNASMN1; SMN2
SCHEMBL6484994 0.85 GNRHR (0.51) GNRHRLMNACYP3A4SMN1; SMN2KMT2A
SCHEMBL6476052 0.85 GNRHR (0.55) GNRHRCYP3A4
SCHEMBL6476087 0.85 GNRHR (0.51) GNRHRCYP3A4
SCHEMBL6491254 0.84 GNRHR (0.72) GNRHRGAALMNACYP3A4MEN1
SCHEMBL5666035 0.82 GNRHR (0.47) GNRHRCYP3A4PTGDR2
SCHEMBL6476363 0.82 GNRHR (0.80) GNRHRGAALMNA
SCHEMBL6490300 0.82 GNRHR (0.54) GNRHRCYP3A4PTGDR2

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
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 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 (2 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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885GAA 1127/4885LMNA 4173/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR GNRHR 1/4885GAA 1431/4885LMNA 3728/4885

“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.