SCHEMBL977882

SCHEMBL977882

CCOC(=O)c1cc2c([nH]1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
ESR2 Q92731 1/20 0.48
NR1H2 P55055 2/20 0.47
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 2/20 0.41
PABPC1 P11940 1/20 0.41
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL976854 0.91 ADORA1 (0.48) ADORA1ESR2NR1H2LMNASMN1; SMN2
SCHEMBL26020909 0.87 ESR2 (0.51) ADORA1ESR2NR1H2MAPK1KDM4E
SCHEMBL1655581 0.84 NOTUM (0.41) LMNASMN1; SMN2ATMPABPC1MAPK1
SCHEMBL10702359 0.84 SMN1; SMN2 (0.42) LMNASMN1; SMN2ATMPABPC1MAPK1
SCHEMBL30458159 0.81 TMEM97 (0.53)
SCHEMBL27108601 0.78 NR1H2 (0.53) ADORA1ESR2NR1H2MAPK1KDM4E
SCHEMBL21954199 0.76 ESR2 (0.53) ADORA1ESR2NR1H2LMNASMN1; SMN2
SCHEMBL980137 0.76 ADORA1 (0.60) ADORA1ESR2NR1H2LMNASMN1; SMN2
SCHEMBL30583454 0.76 NR1H2 (0.63) ADORA1ESR2NR1H2ATMMAPK1
SCHEMBL31337577 0.76 ESR2 (0.65) ADORA1ESR2NR1H2ATMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409542-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2024-12-12 US disclosed
EP-4464705-A1 SALT OF ROCK INHIBITOR, CRYSTAL FORM OF SALT, COMPOSITION, AND PHARMACEUTICAL USE Wuhan Createrna Science and Technology Co.,Ltd. (CN) 2024-11-20 EP disclosed
EP-4408845-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2024-08-07 EP disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
WO-2023134688-A1 SALT OF ROCK INHIBITOR, CRYSTAL FORM OF SALT, COMPOSITION, AND PHARMACEUTICAL USE 武汉朗来科技发展有限公司 2023-07-20 WO disclosed
WO-2023052783-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-04-06 WO disclosed
WO-2022012409-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-20 WO disclosed
CN-113929678-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-01-14 CN disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 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 (3 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-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 ADORA1 3485/4885ESR2 4062/4885NR1H2 735/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 ADORA1 4630/4885ESR2 2520/4885NR1H2 556/4885
US-20240409542-A1 NOVEL COMPOUNDS CD47, GPR119, LRBA ADORA1 1415/4885ESR2 392/4885NR1H2 28/4885

“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.