SCHEMBL17890673

SCHEMBL17890673

CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2C=O)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.57
NR1H2 P55055 1/20 0.53
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 1/20 0.43
SCN9A Q15858 1/20 0.43
UCHL1 P09936 1/20 0.42
ADORA1 P30542 2/20 0.42
ERN1 O75460 2/20 0.42
MAPT P10636 3/20 0.41
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ACACB O00763 1/20 0.40
NAMPT P43490 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL29590654 1.00 ESR2 (0.57) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL2568433 0.86 ESR2 (0.52) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL30406062 0.86 ESR2 (0.52) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL17583907 0.85 ESR2 (0.62) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL2117366 0.84 ESR2 (0.61) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL31680222 0.84 ESR2 (0.61) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL30150249 0.83 ESR2 (0.57) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL23684121 0.82 ESR2 (0.60) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL17583921 0.82 ESR2 (0.60) ESR2NR1H2MAPK1HDAC1SCN9A
SCHEMBL17583852 0.82 ESR2 (0.63) ESR2NR1H2MAPK1HDAC1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557968-A Fused tetracyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-03 CN disclosed
CN-109456324-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-04-22 CN disclosed
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2021-06-08 US disclosed
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-08-20 US disclosed
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-06-23 US disclosed
EP-3024826-B1 NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-11-14 EP disclosed
US-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-04 US disclosed
US-9809574-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-07-07 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 (5 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-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP7, CASP3 ESR2 1857/4885NR1H2 234/4885MAPK1 2709/4885
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, RECQL, CASP7 ESR2 1822/4885NR1H2 194/4885MAPK1 2826/4885
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RECQL, UQCRB, IRF3 ESR2 1798/4885NR1H2 219/4885MAPK1 3587/4885
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, CASP7, CASP3 ESR2 1857/4885NR1H2 234/4885MAPK1 2709/4885
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, RECQL, CASP7 ESR2 1822/4885NR1H2 194/4885MAPK1 2826/4885

“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.