SCHEMBL616004

SCHEMBL616004

CC(C)(C)OC(=O)N1CCC(NCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.60
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
GPR119 Q8TDV5 2/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
LMNA P02545 1/20 0.55
DRD4 P21917 1/20 0.54
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 2/20 0.53
ACHE P22303 2/20 0.53
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL4171022 0.95 STS (0.55) STSKDM4EPKMGPR119KEAP1
SCHEMBL20267975 0.95 STS (0.55) STSKDM4EPKMGPR119KEAP1
SCHEMBL29043109 0.93 USP30 (0.56) STSKDM4EPKMGPR119KEAP1
SCHEMBL696778 0.93 USP30 (0.56) STSKDM4EPKMGPR119KEAP1
SCHEMBL696779 0.93 USP30 (0.56) STSKDM4EPKMGPR119KEAP1
SCHEMBL2793493 0.89 GPR119 (0.57) GPR119EPHX1ALDH1A1ACHENPC1
SCHEMBL16054997 0.88 KEAP1 (0.53) STSKDM4EPKMGPR119KEAP1
SCHEMBL1857852 0.88 GPR119 (0.53) STSKDM4EPKMGPR119KEAP1
SCHEMBL4197561 0.88 KEAP1 (0.48) STSKDM4EPKMGPR119KEAP1
SCHEMBL2106890 0.88 STS (0.57) STSKDM4EPKMGPR119KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN claimed
US-12605373-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2026-04-21 US disclosed
US-20250120965-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2025-04-17 US disclosed
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN disclosed
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11963954-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-23 US disclosed
EP-3822262-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-08-29 US disclosed
US-6432981-B1 BLOCKS HUMAN IMMUNODEFICIENCY VIRUS (HIV) FROM ENTERING CELLS; AUTOIMMUNE DISEASES; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS MERCK & CO., INC. 2002-08-13 US disclosed
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 US disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
WO-1998017646-A1 1-(4-PIPERDINYL)-PIPERIDINYLENE AS AGGREGATION INHIBITOR DR. KARL THOMAE GMBH (DE) 1998-04-30 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 (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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 STS 1343/4885KDM4E 2900/4885PKM 3044/4885
US-12605373-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction CUL3, CUL1, CUL5 STS 4165/4885KDM4E 2059/4885PKM 4043/4885
US-11963954-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 STS 4371/4885KDM4E 1093/4885PKM 2901/4885
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 STS 4206/4885KDM4E 4264/4885PKM 1776/4885
US-20250120965-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 STS 4371/4885KDM4E 1093/4885PKM 2901/4885
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 STS 4327/4885KDM4E 4167/4885PKM 4696/4885

“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.