SCHEMBL977652

SCHEMBL977652

CCOC(=O)c1cc2c([nH]1)CN(Cc1ccccc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
ADORA1 P30542 1/20 0.52
NPC1 O15118 1/20 0.50
TNF P01375 1/20 0.50
RAB9A P51151 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PRMT1 Q99873 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
MAPK1 P28482 1/20 0.44
TRPC5 Q9UL62 1/20 0.44
TSHR P16473 1/20 0.44
AKR1B1 P15121 1/20 0.43

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
SCHEMBL26020911 0.88 SLC6A5 (0.47) LMNAACHESLC6A5AKR1B1POLB
SCHEMBL28702580 0.84 SLC6A5 (0.52) MEN1KMT2AADORA1ACHESLC6A5
SCHEMBL30458159 0.81 TMEM97 (0.53)
SCHEMBL8563163 0.81 MEN1 (0.48) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL13896984 0.79 ACHE (0.52) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL1655581 0.77 NOTUM (0.41) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL20300563 0.76 MEN1 (0.57) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL12617960 0.76 MEN1 (0.57) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL31607740 0.75 TMEM97 (0.53) LMNASMN1; SMN2
SCHEMBL10264147 0.74 ALOX5 (0.46) MEN1KMT2ALMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425745-B Salt of ROCK inhibitor, crystal form, composition and pharmaceutical application of salt 武汉朗来科技发展有限公司 2025-06-13 CN 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
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
CN-116425745-A Salt of ROCK inhibitor, crystal form, composition and pharmaceutical application of salt 武汉朗来科技发展有限公司 2023-07-14 CN disclosed
EP-4155308-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-03-29 EP 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 (2 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 MEN1 371/4885KMT2A 1244/4885LMNA 2516/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 MEN1 3674/4885KMT2A 86/4885LMNA 3764/4885

“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.