SCHEMBL1016428

SCHEMBL1016428

CC(C)(C)OC(=O)N1CC=C(N2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.47
GRM5 P41594 9/20 0.46
GRM1 Q13255 9/20 0.45
NAMPT P43490 1/20 0.44
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
HPGD P15428 1/20 0.41
HTR6 P50406 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL17484338 0.89 PDK4 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL797983 0.87 USP2 (0.55) PDK4GRM5GRM1NAMPTESR2
SCHEMBL11090300 0.83 L3MBTL1 (0.39) HPGDUSP2SMN1; SMN2
SCHEMBL11082543 0.81 MAPT (0.42) SMN1; SMN2
SCHEMBL25320777 0.79 NAMPT (0.57) PDK4GRM5GRM1NAMPTHTR6
SCHEMBL16827266 0.78 GPR119 (0.43) PDK4GRM5NR1H2GPR119
SCHEMBL12320441 0.78 PDK4 (0.51) PDK4GRM5GRM1NAMPTESR2
SCHEMBL8218881 0.78 PDK4 (0.51) PDK4GRM5GRM1NAMPTESR2
SCHEMBL10201181 0.78 PDK4 (0.51) PDK4GRM5GRM1NAMPTESR2
SCHEMBL27012615 0.78 PDK4 (0.44) PDK4GRM5GRM1NAMPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346600-A1 TRICYCLIC DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. 2025-11-13 US disclosed
WO-2025054488-A1 TRICYCLIC DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2023-08-03 US disclosed
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2023-08-03 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-20220227789-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 US disclosed
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
EP-3962913-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
CN-113748113-A Novel indolizine-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2021-12-03 CN disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 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 (6 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-20220227789-A1 NOVEL INDOLIZINE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 PDK4 526/4885GRM5 2795/4885GRM1 3395/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 PDK4 2174/4885GRM5 79/4885GRM1 46/4885
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 PDK4 467/4885GRM5 2220/4885GRM1 3419/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 PDK4 2006/4885GRM5 4595/4885GRM1 3680/4885
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLI1, SHH, GLI2 PDK4 1659/4885GRM5 637/4885GRM1 882/4885
US-20250346600-A1 TRICYCLIC DERIVATIVES AND RELATED USES WRN, RECQL, BLM PDK4 1872/4885GRM5 4378/4885GRM1 4344/4885

“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.