SCHEMBL31368073

SCHEMBL31368073

CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](NC(=O)C2(c3ccc(F)cc3)CCN(C(=O)c3c(C=O)n(CC4CCOCC4)c4ccc(Cl)cc34)CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.32
CDK9 P50750 2/20 0.32
CYP2D6 P10635 3/20 0.32
CCR3 P51677 3/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RORC P51449 1/20 0.31
MAPK8 P45983 2/20 0.31
PAK1 Q13153 1/20 0.31
THRB P10828 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL31368149 0.90 CNR2 (0.34) CDK9CNR2CNR1TRPA1
SCHEMBL31368065 0.85 CDK9 (0.36) CDK9CNR2CNR1TRPA1
SCHEMBL31368133 0.84 CNR1 (0.39) CDK9CNR2CNR1RORC
SCHEMBL31368156 0.82 CNR2 (0.37) CDK9CNR2CNR1TRPA1
SCHEMBL31368136 0.82 CNR1 (0.38) CDK9CNR2CNR1RORC
SCHEMBL31368162 0.76 CNR1 (0.46) CNR2CNR1MAPK8PAK1
SCHEMBL31368093 0.75 CNR2 (0.40) CNR2CNR1
SCHEMBL31368129 0.73 CNR2 (0.41) CNR2CNR1
SCHEMBL31368095 0.69 CNR2 (0.47) CNR2CNR1
SCHEMBL31368125 0.67 CNR2 (0.48) CNR2CNR1

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 USP30 2341/4885CDK9 416/4885CYP2D6 2858/4885

“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.