SCHEMBL110426

SCHEMBL110426

CN(C)CCOc1ccc(CN)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 1.00
NFE2L2 Q16236 1/20 1.00
HRH3 Q9Y5N1 4/20 0.70
LTA4H P09960 2/20 0.64
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
KCNH2 Q12809 1/20 0.49
MAOB P27338 1/20 0.49
LSS P48449 1/20 0.47

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
Hydrochloric Acid SCHEMBL5803566 0.98 KEAP1 (0.96) KEAP1NFE2L2HRH3LTA4HKDM4E
SCHEMBL110784 0.91 KEAP1 (0.83) KEAP1NFE2L2HRH3LTA4HKDM4E
SCHEMBL23928219 0.85 HRH3 (0.77) KEAP1NFE2L2HRH3LTA4HKCNH2
Hydrochloric Acid SCHEMBL30876469 0.84 HRH3 (0.74) KEAP1NFE2L2HRH3LTA4HKCNH2
SCHEMBL8430078 0.82 HRH3 (0.72) KEAP1NFE2L2HRH3LTA4HKDM4E
SCHEMBL781665 0.82 KEAP1 (0.70) KEAP1NFE2L2HRH3LTA4HKDM4E
SCHEMBL2424129 0.81 KEAP1 (0.69) KEAP1NFE2L2HRH3LTA4HKDM4E
SCHEMBL874547 0.81 HRH3 (0.70) KEAP1NFE2L2HRH3LTA4HKDM4E
SCHEMBL7973439 0.81 KEAP1 (0.67) KEAP1NFE2L2HRH3LTA4HMAOB
SCHEMBL14608491 0.81 HRH3 (0.70) KEAP1NFE2L2HRH3LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057916-B Preparation method of lubricating oil antioxidant ashless dispersant 中国石油天然气股份有限公司 2023-11-28 CN claimed
CN-110794046-B Method for detecting 2,4, 5-trifluoro-3-methoxybenzoyl chloride in moxifloxacin intermediate 珠海润都制药股份有限公司 2022-05-06 CN claimed
CN-114057916-A Preparation method of antioxidant ashless dispersant for lubricating oil 中国石油天然气股份有限公司 2022-02-18 CN claimed
CN-110794046-A Method for detecting 2,4, 5-trifluoro-3-methoxybenzoyl chloride in moxifloxacin intermediate 珠海润都制药股份有限公司 2020-02-14 CN claimed
WO-2006051079-A1 PROCESS FOR PREPARING ITOPRIDE HYDROCHLORIDE ERREGIERRE S.P.A. (IT) 2006-05-18 WO claimed
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2026-04-21 US disclosed
US-20250259704-A1 SYSTEMS AND METHODS FOR CELL-FREE ITERATIVE SITE SATURATION MUTAGENESIS AND ITS APPLICATION FOR THE DIRECTED EVOLUTION OF ENZYMES CATALYZING UNNATURAL REACTIONS U.S. DEPARTMENT OF ENERGY 2025-08-14 US disclosed
CN-116947645-B Low-carbon environment-friendly method for synthesizing primary amine by taking halohydrocarbon as raw material 台州市创源工业技术有限公司 2025-04-29 CN disclosed
CN-118895514-A Amide derivative and preparation method thereof 济宁学院 2024-11-05 CN disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
WO-2006011696-A1 METHOD FOR PREPARING 4-[2-(DIMETHYLAMINO)ETHOXY]BENZYLAMINE AS ITOPRIDE HYDROCLORIDE SALT MEDIATE IL YANG PHARM. CO., LTD (KR) 2006-02-02 WO disclosed
WO-2006011696-A1 METHOD FOR PREPARING 4-[2-(DIMETHYLAMINO)ETHOXY]BENZYLAMINE AS ITOPRIDE HYDROCLORIDE SALT MEDIATE IL YANG PHARM. CO., LTD (KR) 2006-02-02 WO disclosed
US-20050256340-A1 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 US disclosed
EP-1527042-A2 METHOD FOR PRODUCING AMINOALKOXY BENZYLAMINES AND AMINOALKOXY BENZONITRILES AS INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 EP disclosed
WO-2004013082-A2 METHOD FOR PRODUCING AMINOALKOXY BENZYLAMINES AND AMINOALKOXY BENZONITRILES AS INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 WO disclosed
EP-0306827-B1 AMIDE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR ACTIVATING GASTRIC MOTOR FUNCTION CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1991-09-04 EP disclosed
US-4983633-A Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0306827-A1 Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-03-15 EP 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 (4 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 KEAP1 3435/4885NFE2L2 2768/4885HRH3 168/4885
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment CAPN2, CAPN1, CAPNS1 KEAP1 621/4885NFE2L2 274/4885HRH3 2482/4885
US-20050256340-A1 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BCAT1, BCAT2, ALKBH3 KEAP1 1332/4885NFE2L2 599/4885HRH3 51/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS KEAP1 390/4885NFE2L2 2421/4885HRH3 3092/4885

“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.