SCHEMBL8027397

SCHEMBL8027397

CN1CCn2c(Br)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD1 P21728 3/20 0.33
DRD3 P35462 3/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
ALDH1A1 P00352 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8024335 0.77 DRD3 (0.37) MAOAMAOBHTR2AHTR2CDRD1
SCHEMBL25091071 0.72 MC4R (0.35) MAOAMAOBHTR2AHTR2CADRA2A
SCHEMBL8030274 0.71 DRD3 (0.42) MAOAMAOBHTR2AHTR2CDRD3
SCHEMBL12559520 0.71 ACHE (0.43) MAOAMAOBHTR2AHTR2CDRD3
SCHEMBL8015265 0.69 HTR2A (0.32) HTR2AHTR2C
SCHEMBL25121973 0.68 HRH4 (0.30)
SCHEMBL11923502 0.68 MAOA (0.35) MAOAMAOBHTR2AHTR2CADRA2C
SCHEMBL8011487 0.66 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1CHRM2CHRM1
SCHEMBL8025808 0.66 HTR6 (0.40) DRD2KDM4ECHRM2CHRM1
SCHEMBL8028549 0.66 NR1H2 (0.41) ALDH1A1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 MAOA 2920/4885MAOB 2530/4885HTR2A 463/4885

“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.