SCHEMBL1643199

SCHEMBL1643199

COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](N)c3ccccc3)c2=O)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 1.00
CYP3A4 P08684 7/20 1.00

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
SCHEMBL1643197 1.00 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL29799847 1.00 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL1643200 1.00 GNRHR (1.00) GNRHRCYP3A4
Hydrochloric Acid SCHEMBL29816173 0.99 GNRHR (0.98) GNRHRCYP3A4
Oxalic Acid SCHEMBL29816324 0.97 GNRHR (0.94) GNRHRCYP3A4
SCHEMBL5758028 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758037 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL30299007 0.92 GNRHR (1.00) GNRHRCYP3A4
SCHEMBL5758034 0.92 GNRHR (1.00) GNRHRCYP3A4
Salicylic Acid SCHEMBL28522582 0.92 GNRHR (0.85) 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 19 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
US-20230072265-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 4-({(1 R)-2-[5-(2-FLUORO-3METHOXYPHENYL)-3-{[2-FLUORO-6-(TRIFLUORO METHYL) PHENYL]METHYL}-4-METHYL-2,6-DIOXO-3,6DIHYDROPYRIMIDIN-1(2 H)-YL]-1-PHENYLETHYL}AMINO)BUTANOIC ACID OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-03-09 US disclosed
US-11459305-B2 Processes for the preparation of uracil derivatives NEUROCRINE BIOSCIENCES, INC. (US) 2022-10-04 US disclosed
WO-2021130776-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 4-({(1 R)-2-[5-(2-FLUORO-3METHOXYPHENYL)-3-{[2-FLUORO-6-(TRIFLUORO METHYL) PHENYL]METHYL}-4-METHYL-2,6-DIOXO-3,6DIHYDROPYRIMIDIN-1(2 H)-YL]-1-PHENYLETHYL}AMINO)BUTANOIC ACID OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2021-07-01 WO disclosed
US-20200255387-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES NEUROCRINE BIOSCIENCES, INC. 2020-08-13 US disclosed
US-20190218191-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES NEUROCRINE BIOSCIENCES, INC. 2019-07-18 US disclosed
US-20180346428-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES NEUROCRINE BIOSCIENCES, INC. 2018-12-06 US disclosed
US-20170320836-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES NEUROCRINE BIOSCIENCES, INC. 2017-11-09 US disclosed
US-9382214-B2 Processes for the preparation of uracil derivatives Neurocine Biosciences, Inc. (US) 2016-07-05 US disclosed
US-8765948-B2 Processes for the preparation of uracil derivatives NEUROCRINE BIOSCIENCES, INC. (US) 2014-07-01 US disclosed
US-20110098472-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES NEUROCRINE BIOSCIENCES, INC. 2011-04-28 US disclosed
WO-2009062087-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES NEUROCRINE BIOSCIENCES, INC. (US) 2009-05-14 WO disclosed
EP-1660091-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2009-04-15 EP disclosed
US-7329669-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-12 US disclosed
EP-1646389-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-04-19 EP disclosed
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-24 US disclosed
US-20050038057-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (CA) 2005-02-17 US disclosed
WO-2005007165-A1 PYRIMIDINE-2, 4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 WO 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 (10 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-20200255387-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES GNRHR, FSHR, GHRHR GNRHR 1/4885CYP3A4 1033/4885
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1232/4885
US-20190218191-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES GNRHR, FSHR, GHRHR GNRHR 1/4885CYP3A4 1033/4885
US-20180346428-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES GNRHR, FSHR, GHRHR GNRHR 1/4885CYP3A4 1033/4885
US-20050038057-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885CYP3A4 1565/4885
US-20110098472-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES GNRHR, FSHR, GHRHR GNRHR 1/4885CYP3A4 1033/4885
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
US-20170320836-A1 PROCESSES FOR THE PREPARATION OF URACIL DERIVATIVES GNRHR, FSHR, GHRHR GNRHR 1/4885CYP3A4 1033/4885
US-20230072265-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 4-({(1 R)-2-[5-(2-FLUORO-3METHOXYPHENYL)-3-{[2-FLUORO-6-(TRIFLUORO METHYL) PHENYL]METHYL}-4-METHYL-2,6-DIOXO-3,6DIHYDROPYRIMIDIN-1(2 H)-YL]-1-PHENYLETHYL}AMINO)BUTANOIC ACID OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS BPNT1, GABRA6, GABRA1 GNRHR 4217/4885CYP3A4 63/4885
US-11459305-B2 Processes for the preparation of uracil derivatives GNRHR, FSHR, GHRHR GNRHR 1/4885CYP3A4 1033/4885

“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.