SCHEMBL24387151

SCHEMBL24387151

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
CPA1 P15085 1/20 0.48
CYP2C19 P33261 1/20 0.36
TBXAS1 P24557 1/20 0.36
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FOLH1 Q04609 1/20 0.30

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
SCHEMBL891727 0.79 GRIK1 (0.64) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL5849604 0.79 GRIK1 (0.50) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL2137236 0.78 GRIK1 (0.53) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL8031351 0.78 GRIK1 (0.53) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL6050002 0.77 GRIK1 (0.75) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL463194 0.77 FOLH1 (0.56) GRIK1GRIK2CPA1SLC6A3FOLH1
4-En-Metabolite SCHEMBL1000796 0.77 CHRM1 (0.62) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL13258636 0.77 GRIK1 (0.57) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL14518785 0.77 GRIK1 (0.57) GRIK1GRIK2CPA1CYP2C19TBXAS1
4-En-Metabolite SCHEMBL9111371 0.77 CHRM1 (0.62) GRIK1GRIK2CPA1CYP2C19TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 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 (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-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 GRIK1 426/4885GRIK2 430/4885CPA1 1483/4885

“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.