SCHEMBL16243115

SCHEMBL16243115

COc1ccc(Cn2ncc3c2N(Cc2noc(C)n2)CCCC3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.39
MCHR1 Q99705 1/20 0.38
P2RX7 Q99572 2/20 0.38
TAS2R8 Q9NYW2 1/20 0.36
PDE1A P54750 3/20 0.36
PDE1B Q01064 3/20 0.36
PDE1C Q14123 3/20 0.36
GAA P10253 1/20 0.35
UCHL1 P09936 1/20 0.34

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
SCHEMBL370796 0.83 NPBWR1 (0.50) NPBWR1MCHR1P2RX7GAA
SCHEMBL15130201 0.79 SMN1; SMN2 (0.48) NPBWR1PDE1B
SCHEMBL15130302 0.78 NPBWR1 (0.42) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL15303455 0.78 ALDH1A1 (0.43) NPBWR1GAA
SCHEMBL15130262 0.78 NPBWR1 (0.44) NPBWR1MCHR1PDE1BGAA
SCHEMBL15130248 0.76 GRIN1 (0.44) NPBWR1MCHR1GAAUCHL1
SCHEMBL18258722 0.74 CASP3 (0.44)
SCHEMBL15130305 0.73 POLB (0.42) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL15130291 0.72 NPBWR1 (0.42) NPBWR1MCHR1GAAUCHL1
SCHEMBL15130292 0.72 NPBWR1 (0.42) NPBWR1MCHR1GAAUCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804870-B1 2-AMINO-4,5,6,8-TETRAHYDROPYRAZOLO[3,4-b]THIAZOLO [4,5-d]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2016-11-30 EP disclosed
US-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA S.A. (CH) 2014-11-27 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-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM5 NPBWR1 575/4885MCHR1 271/4885P2RX7 204/4885

“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.