SCHEMBL1048024

SCHEMBL1048024

COc1ccc(Cn2nccc2C(=O)N(C)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.48
MCHR1 Q99705 1/20 0.44
HSP90AA1 P07900 1/20 0.42
UCHL1 P09936 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.41
TSPO P30536 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6603633 0.84 NPBWR1 (0.52) NPBWR1MCHR1UCHL1HTTL3MBTL1
SCHEMBL2456576 0.82 NPBWR1 (0.53) NPBWR1MCHR1UCHL1CYP19A1
SCHEMBL29483303 0.81 NPBWR1 (0.52) NPBWR1MCHR1UCHL1CYP19A1L3MBTL1
SCHEMBL3573767 0.79 L3MBTL1 (0.48) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL8886643 0.78 NPBWR1 (0.51) NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL2050022 0.78 UCHL1 (0.57) NPBWR1MCHR1UCHL1ALDH1A1HTT
SCHEMBL15130259 0.77 NPBWR1 (0.45) NPBWR1MCHR1UCHL1ALDH1A1HTT
SCHEMBL366891 0.77 UCHL1 (0.46) NPBWR1MCHR1UCHL1ALDH1A1HTT
SCHEMBL4680080 0.76 NPBWR1 (0.47) NPBWR1MCHR1UCHL1CYP19A1
SCHEMBL23799145 0.76 NPBWR1 (0.39) NPBWR1MCHR1HSP90AA1UCHL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed
US-8513252-B2 Pyrazole derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-08-20 US disclosed
EP-2456769-B1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-06-26 EP disclosed
EP-2456769-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-05-30 EP disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 US disclosed
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 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 (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-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 NPBWR1 476/4885MCHR1 416/4885HSP90AA1 3916/4885

“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.