SCHEMBL29960892

SCHEMBL29960892

COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)[O-])c3ccccc3)c2=O)c1Cl.[Na+]

nearest known ligand 0.88

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR known ✓ P30968 20/20 0.88
CYP3A4 P08684 11/20 0.88
ADRB2 P07550 1/20 0.88
APLNR P35414 1/20 0.88
OPRK1 P41145 1/20 0.88
GLP1R P43220 1/20 0.88
CX3CR1 P49238 1/20 0.88
FFAR4 Q5NUL3 1/20 0.88
GPR119 Q8TDV5 1/20 0.88

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
SCHEMBL1643219 1.00 GNRHR (0.88) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL5002181 0.94 GNRHR (0.87) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1643488 0.94 GNRHR (0.87) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1643218 0.93 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL20741205 0.93 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1643222 0.93 GNRHR (0.86) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL1641994 0.93 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL29394583 0.93 GNRHR (1.00) GNRHRCYP3A4ADRB2APLNROPRK1
SCHEMBL1644181 0.92 GNRHR (0.80) GNRHRCYP3A4ADRB2APLNROPRK1
Elagolix SCHEMBL4995673 0.92 GNRHR (0.92) GNRHRCYP3A4ADRB2APLNROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459305-B2 Processes for the preparation of uracil derivatives NEUROCRINE BIOSCIENCES, INC. (US) 2022-10-04 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-11459305-B2 Processes for the preparation of uracil derivatives GNRHR, FSHR, GHRHR GNRHR 1/4885CYP3A4 1033/4885ADRB2 1892/4885

“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.