SCHEMBL4392562

SCHEMBL4392562

CC(C)(C)OC(=O)N1CCN(CC#N)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NR1H2 P55055 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CTSK P43235 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
DTYMK P23919 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL23832576 0.87 NR1H2 (0.42) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL20523114 0.86 NR1H2 (0.41) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL3635546 0.84 P2RX7 (0.45) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL12125488 0.84 NR1H2 (0.43) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL6873040 0.81 NR1H2 (0.41) ALDH1A1MAPTNR1H2GPR119USP2
SCHEMBL21063418 0.81 NR1H2 (0.41) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL1583253 0.81 P2RX7 (0.46) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL4005175 0.81 NR1H2 (0.41) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL17691085 0.80 DDB1 (0.41) ALDH1A1MAPTNR1H2MEN1KMT2A
SCHEMBL31570956 0.80 TSHR (0.44) ALDH1A1MAPTNR1H2USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101892-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS AND USES THEREOF Astellas Engineered Small Molecules US, Incorporated (US) 2025-05-15 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
WO-2015011252-A1 PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-01-29 WO disclosed
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 ALDH1A1 3776/4885MAPT 4874/4885NR1H2 236/4885
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 ALDH1A1 2413/4885MAPT 1138/4885NR1H2 2948/4885

“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.