SCHEMBL4789903

SCHEMBL4789903

CC1CC(c2cccc(Br)c2)=CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
PNMT P11086 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ALOX5 P09917 1/20 0.35
TDP2 O95551 1/20 0.35
IDO1 P14902 1/20 0.35
METAP2 P50579 1/20 0.35
IKBKB O14920 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MPI P34949 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL7369143 0.82 HRH1 (0.34) ADRA2APNMTADRA2BADRA2CHRH1
SCHEMBL4790265 0.81 HTR2C (0.54) HRH1TDP2HTR2C
SCHEMBL578563 0.80 HTR2C (0.50) ADRA2APNMTADRA2BADRA2CALDH1A1
SCHEMBL11016650 0.78 NCOA1 (0.43) GAAHTR2C
SCHEMBL5120102 0.77 HTR2C (0.57) HRH1HRH4IDO1IKBKBHTR2C
SCHEMBL7562738 0.76 POLB (0.36) HRH1HRH4IDO1ALDH1A1HPGD
SCHEMBL4790042 0.75 PNMT (0.48) ADRA2APNMTADRA2BADRA2CTDP2
SCHEMBL21312016 0.74 RAB9A (0.40) ALOX5ALDH1A1CHRNB4CHRNA3GAA
SCHEMBL22677495 0.73 HTR2C (0.44) HRH1HRH4IDO1METAP2IKBKB
SCHEMBL7747172 0.72 QDPR (0.53) ALOX5

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
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 ADRA2A 1504/4885PNMT 759/4885ADRA2B 1119/4885

“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.