SCHEMBL1041303

SCHEMBL1041303

c1ccc(CN2CCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 1.00
▸ MC4R P32245 1/20 0.78
▸ DRD4 P21917 2/20 0.75
▸ LMNA P02545 1/20 0.75
▸ POLB P06746 1/20 0.75
▸ CCR3 P51677 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ACHE P22303 1/20 0.65
▸ PHGDH O43175 1/20 0.64
▸ MGLL Q99685 1/20 0.64

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
SCHEMBL576868 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL242970 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL2489199 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL8188324 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1415730 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
Water SCHEMBL8695926 0.97 SIGMAR1 (0.95) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1043563 0.93 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL577331 0.93 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576379 0.93 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL6659339 0.93 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 — — CN disclosed
CN-108276353-B Synthesis method of 1,4, 7-triazacyclononane and derivatives thereof and obtained product 首都医科大学 2020-12-18 — — CN disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 — — CN disclosed
CN-111048841-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-21 — — CN disclosed
EP-2144321-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2019-01-23 — — EP disclosed
EP-2597717-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2018-07-25 — — EP disclosed
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 — — US disclosed
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 — — US disclosed
US-9988388-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C- functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-06-05 — — US disclosed
US-9981967-B2 Synthesis of imidazo[1,2-a]pyrazin-4-ium salts for the synthesis of 1,4,7-triazacyclononane (tacn) and N- and/or C-functionalized derivatives thereof UNIVERSITE DE BOURGOGNE (FR) 2018-05-29 — — US disclosed
EP-2269995-B1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DAINIPPON INK & CHEMICALS (JP) 2012-12-12 — — EP disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 — — US disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 — — US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 — — US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 — — US disclosed
EP-2269995-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporation (JP) 2011-01-05 — — EP disclosed
US-7270683-B2 A triazacyclononane compound, hydrogen peroxide as an oxidizing agent, a base, and ethylenediaminetetraacetic acid, ethylenediaminehydroxyethyltriacetic acid, or diethylenetriaminepentaacetic acid; improved bleaching ability, bright color tone, reduced hair damage and scalp irritation KAO CORPORATION (JP) 2007-09-18 — — US disclosed
US-7270683-B2 A triazacyclononane compound, hydrogen peroxide as an oxidizing agent, a base, and ethylenediaminetetraacetic acid, ethylenediaminehydroxyethyltriacetic acid, or diethylenetriaminepentaacetic acid; improved bleaching ability, bright color tone, reduced hair damage and scalp irritation KAO CORPORATION (JP) 2007-09-18 — — US disclosed
EP-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 — — EP disclosed
US-6689919-B1 SOLUBLE POLY(OXYFLUOROPHENYLENE) COMPOUNDS WITH EXCELLENT HEAT RESISTANCE, MEMBRANE-FORMABILITY AND CHEMICAL STABILITY JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-02-10 — — 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 (1 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-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST TFRC, FECH, FTH1 SIGMAR1 886/4885MC4R 2085/4885DRD4 944/4885

“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.

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