SCHEMBL6835337

SCHEMBL6835337

CCOC/C=C(\CC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 2/20 0.33
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
ABAT P80404 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
SCHEMBL8525897 0.83 TSHR (0.43) GRIK1GRIK2ALDH1A1TSHR
SCHEMBL4278699 0.79 GRIK1 (0.41) GRIK1GRIK2ALDH1A1TSHR
SCHEMBL3400931 0.77 EP300 (0.43) ALDH1A1TSHRHCAR2
SCHEMBL211093 0.76 ALDH1A1 (0.37) ALDH1A1TSHRHCAR2
SCHEMBL27045 0.74
SCHEMBL1875407 0.74
SCHEMBL800055 0.74
SCHEMBL7525735 0.74 GRIK1 (0.44) GRIK1GRIK2FFAR3
SCHEMBL7525737 0.74 GRIK1 (0.44) GRIK1GRIK2FFAR3
SCHEMBL3870449 0.72 HTT (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040121999-A1 CRF antagonistic pyrazolo[4,3-b]pyridines NEUROCRINE BIOSCIENCES, INC. 2004-06-24 US disclosed
US-6613777-B1 Corticotropin releasing factor (CRF) inhibitors such as 5-methyl-7-(dipropylamino)-2-methyl-3-(2,4-dichlorophenyl) pyrazolo(4,3-b)pyridine, used as antidepressants and anxiolytic agents; drug abuse CHEN CHEN (US) 2003-09-02 US disclosed
WO-1999045007-A1 CRF ANTAGONISTIC PYRAZOLO[4,3-B]PYRIDINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-10 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-20040121999-A1 CRF antagonistic pyrazolo[4,3-b]pyridines CRHR1, CRH, CRHR2 GRIK1 203/4885GRIK2 277/4885FFAR3 152/4885

“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.