SCHEMBL868581

SCHEMBL868581

CC(C)(C)OC(=O)N1CCc2c(F)cccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.65
UCHL1 P09936 3/20 0.51
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
DRD4 P21917 1/20 0.46
KDM1A O60341 1/20 0.45
AR P10275 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
AKT1 P31749 1/20 0.43
GRM5 P41594 1/20 0.43
GRM1 Q13255 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
SCHEMBL29911845 1.00 NOTUM (0.65) NOTUMUCHL1SCN5ASCN9ADRD4
SCHEMBL29535019 0.84 UCHL1 (0.67) NOTUMUCHL1KDM1AARHDAC1
SCHEMBL31014046 0.84 UCHL1 (0.52) NOTUMUCHL1KDM1AHDAC1HDAC6
SCHEMBL1284259 0.84 UCHL1 (0.67) NOTUMUCHL1KDM1AARHDAC1
SCHEMBL3902861 0.84 UCHL1 (0.52) NOTUMUCHL1KDM1AHDAC1HDAC6
SCHEMBL23063791 0.84 NOTUM (0.64) NOTUMUCHL1DRD4KDM1AHDAC1
SCHEMBL5568369 0.84 NOTUM (0.70) NOTUMDRD4ARAKT1
SCHEMBL868725 0.83 NOTUM (0.65) NOTUMUCHL1DRD4KDM1AAR
SCHEMBL256728 0.83 UCHL1 (0.51) NOTUMUCHL1KDM1AHDAC1HDAC6
Potassium Ion SCHEMBL31605708 0.83 UCHL1 (0.51) NOTUMUCHL1KDM1AARHDAC1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382488-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-11-21 US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
US-20220348584-A1 PERK INHIBITING INDOLINYL COMPOUNDS HIBERCELL, INC. 2022-11-03 US disclosed
US-20220348584-A1 PERK INHIBITING INDOLINYL COMPOUNDS HIBERCELL, INC. 2022-11-03 US disclosed
WO-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 WO disclosed
EP-4059928-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-21 EP disclosed
CN-114728926-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-07-08 CN disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
WO-2021041976-A1 PERK INHIBITING INDOLINYL COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 WO disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 WO disclosed
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed
WO-2015056180-A1 INDOLINE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-23 WO disclosed
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
CN-102917588-A Chemical compounds GLAXOSMITHKLINE LLC 2013-02-06 CN disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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-20240382488-A1 NEK7 INHIBITORS NEK7, NEK11, NEK2 NOTUM 3721/4885UCHL1 4099/4885SCN5A 1186/4885
US-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R NOTUM 2790/4885UCHL1 962/4885SCN5A 1178/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R NOTUM 2790/4885UCHL1 962/4885SCN5A 1178/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 NOTUM 83/4885UCHL1 2492/4885SCN5A 4118/4885
US-20220348584-A1 PERK INHIBITING INDOLINYL COMPOUNDS ATF4, MAP3K10, EEF2K NOTUM 3576/4885UCHL1 3455/4885SCN5A 3441/4885

“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.