SCHEMBL1887809

SCHEMBL1887809

Fc1ccc2c(c1)CCCNC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 4/20 0.47
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
PNMT P11086 4/20 0.43
HTR2C P28335 3/20 0.41
HTR2A P28223 1/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
HTR2B P41595 2/20 0.40
HTR6 P50406 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MELK Q14680 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL30950592 1.00 ASIC3 (0.47) ASIC3DRD2DRD3PNMTHTR2C
SCHEMBL11334101 0.92 PNMT (0.47) DRD2DRD3PNMTMELKADRA2A
SCHEMBL330372 0.88 ASIC3 (0.60) ASIC3DRD2DRD3PNMTHTR2C
Hydrochloric Acid SCHEMBL1000880 0.86 ASIC3 (0.58) ASIC3DRD2DRD3PNMTHTR2C
SCHEMBL29741628 0.80 PNMT (0.60) DRD2DRD3PNMTHTR2CHTR2A
SCHEMBL420370 0.80 PNMT (0.60) DRD2DRD3PNMTHTR2CHTR2A
SCHEMBL107103 0.79 CYP1A2 (0.43) ASIC3PNMTHTR2CHTR2APARP1
SCHEMBL14704881 0.78 ASIC3 (0.48) ASIC3DRD2DRD3PNMTCD44
Hydrochloric Acid SCHEMBL29586555 0.78 PNMT (0.58) DRD2DRD3PNMTHTR2CHTR2A
Hydrochloric Acid SCHEMBL999244 0.78 PNMT (0.58) DRD2DRD3PNMTHTR2CHTR2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317689-A1 POTASSIUM CHANNEL MODULATOR, COMPOSITION AND APPLICATION NEUSHEN THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2024-09-26 US disclosed
EP-4393907-A1 POTASSIUM CHANNEL MODULATOR, COMPOSITION AND APPLICATION Neushen Therapeutics (Shanghai) Co., Ltd (CN) 2024-07-03 EP disclosed
CN-115724799-A Potassium channel regulator, composition and application 杭州和正医药有限公司 2023-03-03 CN disclosed
WO-2023025276-A1 POTASSIUM CHANNEL MODULATOR, COMPOSITION AND APPLICATION 杭州和正医药有限公司 2023-03-02 WO disclosed
US-7947833-B2 methods that are useful in the preparation of amidophenyl-sulfonylamino-quinoxaline compounds CCK2 modulators are disclosed by sulfonylation JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7563895-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-21 US disclosed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP disclosed
US-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
US-20080076918-A1 QUINOXALINE COMPOUNDS ALLISON BRETT D 2008-03-27 US disclosed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US disclosed
US-7288651-B2 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 US disclosed
EP-1651622-B1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 EP disclosed
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 EP disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 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 (5 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-20240317689-A1 POTASSIUM CHANNEL MODULATOR, COMPOSITION AND APPLICATION KCNQ3, KCNQ1, KCNQ2 ASIC3 104/4885DRD2 2521/4885DRD3 1693/4885
US-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR ASIC3 1979/4885DRD2 1287/4885DRD3 2257/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR ASIC3 1979/4885DRD2 1287/4885DRD3 2257/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR ASIC3 1184/4885DRD2 3370/4885DRD3 4301/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR ASIC3 1184/4885DRD2 3370/4885DRD3 4301/4885

“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.