SCHEMBL2489199

SCHEMBL2489199

c1ccc(CN2CCN(Cc3ccccc3)CCN(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
SCHEMBL1415730 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576868 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL8188324 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1041303 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL242970 1.00 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
Water SCHEMBL8695926 0.97 SIGMAR1 (0.95) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1044952 0.93 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL6659339 0.93 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576379 0.93 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1043563 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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116759632-A Crown ether lithium salt compound and perovskite lithium battery thereof 美能能源技术(苏州)有限公司 2023-09-15 CN claimed
CN-115633511-A Perovskite solar cell and preparation method thereof 宣城先进光伏技术有限公司 2023-01-20 CN claimed
US-9312572-B2 Synergistic additives for electrochemical cells with electrodeposited fuel FLUIDIC, INC. (US) 2016-04-12 US claimed
US-20140266056-A1 SYNERGISTIC ADDITIVES FOR ELECTROCHEMICAL CELLS WITH ELECTRODEPOSITED FUEL FLUIDIC, INC. (US) 2014-09-18 US claimed
WO-2025121238-A1 METHOD FOR PRODUCING AROMATIC POLYSULFONE 住友化学株式会社 2025-06-12 WO disclosed
US-20240297344-A1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-05 US disclosed
US-12071395-B2 Method for producing carbodiimide compound NISSHINBO CHEMICAL INC. (JP) 2024-08-27 US disclosed
US-12017977-B2 Method for producing carbodiimide compound NISSHINBO CHEMICAL INC. (JP) 2024-06-25 US disclosed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
CN-116759632-A Crown ether lithium salt compound and perovskite lithium battery thereof 美能能源技术(苏州)有限公司 2023-09-15 CN disclosed
US-20230106672-A1 METHOD FOR PRODUCING CARBODIIMIDE COMPOUND NISSHINBO CHEMICAL INC. (JP) 2023-04-06 US disclosed
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
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 US disclosed
EP-0883610-A1 PROCESS FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-16 EP disclosed
EP-0872479-A1 Chelated complexes of paramagnetic metals with low toxicity BRACCO S.p.A. (IT) 1998-10-21 EP disclosed
US-5744616-A CYCLOTETRAMERIZATION OF A BENZYLAZIRIDINE DERIVATIVE SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
EP-0813523-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1997-12-29 EP disclosed
WO-1997031905-A1 PROCESS FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE AND ITS DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-04 WO disclosed
WO-1996028420-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1996-09-19 WO disclosed
EP-0255471-A1 1,4,7,10-Tetraazacyclododecane-derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-03 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 (3 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-20230106672-A1 METHOD FOR PRODUCING CARBODIIMIDE COMPOUND CA9, CA4, CA14 SIGMAR1 4718/4885MC4R 3898/4885DRD4 1578/4885
US-12071395-B2 Method for producing carbodiimide compound IDH2, IDH3A, IDH1 SIGMAR1 4661/4885MC4R 4499/4885DRD4 684/4885
US-12017977-B2 Method for producing carbodiimide compound CA9, CA4, CA14 SIGMAR1 4718/4885MC4R 3898/4885DRD4 1578/4885

“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.