SCHEMBL31368095

SCHEMBL31368095

COC(=O)c1c(C=O)n(CC2CCOCC2)c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.47
CNR1 P21554 7/20 0.47
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
PLA2G2A P14555 1/20 0.37
PTGER4 P35408 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL31368052 0.89 CNR2 (0.45) CNR2CNR1ALDH1A1TP53MAPT
SCHEMBL31368125 0.88 CNR2 (0.48) CNR2CNR1ALDH1A1TP53MAPT
SCHEMBL31368123 0.87 CNR2 (0.49) CNR2CNR1ALDH1A1MAPTMAPK1
SCHEMBL31368153 0.84 CNR2 (0.47) CNR2CNR1ALDH1A1TP53MAPT
SCHEMBL31368048 0.83 CNR2 (0.46) CNR2CNR1TP53MAPTMAPK1
SCHEMBL31368133 0.79 CNR1 (0.39) CNR2CNR1TP53
SCHEMBL31368056 0.77 CNR2 (0.52) CNR2CNR1ALDH1A1TP53MAPT
SCHEMBL31368042 0.75 CNR2 (0.72) CNR2CNR1
SCHEMBL23606768 0.73 KMT2A (0.38) CNR2CNR1ALDH1A1MAPK1HTT
SCHEMBL31368076 0.73 CNR2 (0.48) CNR2CNR1ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 CNR2 2020/4885CNR1 1719/4885ALDH1A1 2766/4885

“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.