SCHEMBL30678913

SCHEMBL30678913

COC(=O)/C=C/c1cccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ NR1H2 P55055 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ UCHL1 P09936 1/20 0.46
▸ DDB1 Q16531 1/20 0.45
▸ CRBN Q96SW2 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ ABHD6 Q9BV23 2/20 0.43
▸ NAMPT P43490 4/20 0.42
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL25381191 1.00 ESR2 (0.46) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL17686937 0.89 UCHL1 (0.49) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL16269155 0.89 UCHL1 (0.49) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL16269377 0.89 ADORA1 (0.45) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL16269378 0.89 ADORA1 (0.45) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL22319906 0.85 ABHD6 (0.40) ABHD6MAPTKDM4E
SCHEMBL29554774 0.84 ESR2 (0.52) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL5880442 0.84 ESR2 (0.52) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL30678892 0.83 UCHL1 (0.48) ESR2SCN9ANR1H2MAPK1UCHL1
SCHEMBL25381833 0.83 UCHL1 (0.48) ESR2SCN9ANR1H2MAPK1UCHL1

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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2023-12-05 — — 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-11833162-B2 Macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same C1R, F12, RDX ESR2 1328/4885SCN9A 4001/4885NR1H2 598/4885

“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.

Send feedback