SCHEMBL23966960

SCHEMBL23966960

CN1C[C@H](CC(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.59
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
GPBAR1 Q8TDU6 4/20 0.45
ELANE P08246 1/20 0.44

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
SCHEMBL6222371 0.78 HPGD (0.66) BRD4HPGDALDH1A1L3MBTL1MAPK1
SCHEMBL22193270 0.78 LTA4H (0.48) GLAALDH1A1L3MBTL1MAPK1
SCHEMBL10853040 0.77 ALDH1A1 (0.49) GLAALDH1A1L3MBTL1MAPK1
SCHEMBL4143101 0.77 ALDH1A1 (0.59) GLAALDH1A1L3MBTL1MAPK1
SCHEMBL306069 0.76 ALDH1A1 (0.54) GLAALDH1A1L3MBTL1MAPK1
SCHEMBL30492998 0.76 ALDH1A1 (0.54) GLAALDH1A1L3MBTL1MAPK1
SCHEMBL12345122 0.75 ALDH1A1 (0.55) ALDH1A1
SCHEMBL23426349 0.74 NAMPT (0.50) GLAHPGDALDH1A1L3MBTL1MAPK1
SCHEMBL305021 0.74 ALDH1A1 (0.56) GLAHPGDALDH1A1L3MBTL1MAPK1
SCHEMBL20234917 0.74 CYP2C19 (0.53) GLAALDH1A1L3MBTL1MAPK1

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-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-02 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-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators GRIN2B, GRIN3B, GRIN3A BRD4 449/4885GLA 3231/4885HPGD 1826/4885

“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.