SCHEMBL4288969

SCHEMBL4288969

CC(CCC(=O)O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
CYP1A2 P05177 2/20 0.50
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41

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
SCHEMBL24831968 1.00 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8421581 0.86 LMNA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28130977 0.85 LMNA (0.46) ENPEPLMNANFKB1
SCHEMBL3911051 0.78 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14883829 0.78 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28205467 0.76
SCHEMBL12868856 0.76 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6116460 0.76 CHRNB2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL191972 0.75 SLC22A6 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1902452 0.75 SLC22A6 (0.39) GABRPGABRDGABRA1GABRB1GABRG2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4112611-A2 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2023-01-04 EP disclosed
EP-3644990-B1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2022-11-30 EP disclosed
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2021-04-20 US disclosed
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2021-04-20 US disclosed
EP-3644990-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2020-05-06 EP disclosed
US-20200109137-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-04-09 US disclosed
US-20200109137-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-04-09 US disclosed
WO-2019000238-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019005589-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019005589-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2014047397-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-2061470-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES Neurogen Corporation (US) 2009-05-27 EP disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
WO-2008024433-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024433-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-02-28 WO disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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 (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-20200109137-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM3 GABRP 255/4885GABRD 335/4885GABRA1 197/4885
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives PIGS, GPR174, GPR17 GABRP 162/4885GABRD 90/4885GABRA1 102/4885
US-10981902-B2 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM3 GABRP 255/4885GABRD 335/4885GABRA1 197/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 GABRP 148/4885GABRD 224/4885GABRA1 106/4885

“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.