SCHEMBL4789681

SCHEMBL4789681

CC1CC(c2ccc([N+](=O)[O-])cc2)=CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.49
ADRA2A P08913 3/20 0.49
ADRA2B P18089 3/20 0.49
ADRA2C P18825 3/20 0.49
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KHK P50053 1/20 0.37
HTR2A P28223 1/20 0.37
HTR6 P50406 1/20 0.37
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR7 P34969 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL4790042 0.82 PNMT (0.48) PNMTADRA2AADRA2BADRA2CACHE
SCHEMBL6219164 0.77 PNMT (0.45) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL7527330 0.76 MAPT (0.41) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL5260946 0.76 PNMT (0.44) PNMTADRA2AADRA2BADRA2CACHE
SCHEMBL15994858 0.76 CHEK1 (0.45) LMNAALDH1A1
SCHEMBL7412479 0.76 PNMT (0.47) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL4789908 0.75 PTGS1 (0.34) LMNAALDH1A1GAAKHKHTR7
SCHEMBL4790395 0.75 SIGMAR1 (0.50) ALDH1A1SLC6A3HTR7
SCHEMBL578563 0.75 HTR2C (0.50) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL25882452 0.73 ACHE (0.41) PNMTADRA2AADRA2BADRA2CACHE

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 PNMT 759/4885ADRA2A 1504/4885ADRA2B 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.