SCHEMBL4678934

SCHEMBL4678934

Cc1c(Br)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.69
CYP3A4 P08684 2/20 0.69

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
Hydrochloric Acid SCHEMBL26914648 0.99 GNRHR (0.68) GNRHRCYP3A4
Hydrochloric Acid SCHEMBL26914647 0.99 GNRHR (0.68) GNRHRCYP3A4
SCHEMBL24801627 0.90 GNRHR (0.71) GNRHRCYP3A4
SCHEMBL14984004 0.89 GNRHR (0.56) GNRHRCYP3A4
SCHEMBL23321488 0.89 GNRHR (0.69) GNRHRCYP3A4
SCHEMBL14018878 0.87 GNRHR (0.61) GNRHRCYP3A4
SCHEMBL21133267 0.87 GNRHR (0.61) GNRHRCYP3A4
SCHEMBL21061123 0.85 GNRHR (0.60) GNRHRCYP3A4
SCHEMBL21061122 0.85 GNRHR (0.60) GNRHRCYP3A4
SCHEMBL28418260 0.85 GNRHR (0.54) GNRHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840519-B2 Process for the synthesis of the sodium salt of 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)-phenyl]methyl]-3,6-dihydro-4-methyl-2.6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-butanoic acid (elagolix sodium salt) and intermediates of said process INDUSTRIALE CHIMICA S.R.L. (IT) 2023-12-12 US disclosed
US-11840519-B2 Process for the synthesis of the sodium salt of 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)-phenyl]methyl]-3,6-dihydro-4-methyl-2.6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-butanoic acid (elagolix sodium salt) and intermediates of said process INDUSTRIALE CHIMICA S.R.L. (IT) 2023-12-12 US disclosed
EP-1646389-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2008-09-10 EP disclosed
US-7419983-B2 e.g. 3-[{hydroxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione; sex-hormone related diseases; anticarcinogenic agent; endometriosis, uterine fibroids, polycystic ovarian disease NEUROCRINE BIOSCIENCES, INC. (US) 2008-09-02 US disclosed
US-20070191403-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2007-08-16 US disclosed
US-7176211-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-13 US disclosed
US-20060122202-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-08 US disclosed
US-7056927-B2 3-[2(R)-{hydroxycarbonylpropyl-amino}-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-pyrimidine-2,4(1H,3H)-dione; utility in treatment of a variety of sex-hormone related conditions in both men and women NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-06 US disclosed
US-20050038057-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (CA) 2005-02-17 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 (4 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-20070191403-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1565/4885
US-20060122202-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1565/4885
US-20050038057-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1565/4885
US-11840519-B2 Process for the synthesis of the sodium salt of 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)-phenyl]methyl]-3,6-dihydro-4-methyl-2.6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-butanoic acid (elagolix sodium salt) and intermediates of said process ELP1, BPNT1, EPX GNRHR 4622/4885CYP3A4 3904/4885

“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.