SCHEMBL13952170

SCHEMBL13952170

CCc1ccc(OCCN2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.69
HRH3 Q9Y5N1 4/20 0.58
DRD3 P35462 3/20 0.54
DRD2 P14416 1/20 0.54
PSMB1 P20618 1/20 0.54
PSMB5 P28074 1/20 0.54
PSMB2 P49721 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL301254 0.85 HRH3 (0.77) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL14970716 0.84 HRH3 (0.80) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL8410557 0.84 LTA4H (0.64) LTA4HHRH3KDM4EALDH1A1MAPT
SCHEMBL8122915 0.84 HRH3 (0.80) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL8427936 0.84 LTA4H (0.70) LTA4HHRH3DRD3DRD2PSMB1
SCHEMBL19462908 0.84 LTA4H (0.64) LTA4HHRH3DRD3DRD2KDM4E
Hydrochloric Acid SCHEMBL14966041 0.83 HRH3 (0.78) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7142372 0.82 LTA4H (1.00) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL16795220 0.82 HRH3 (0.80) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL4485540 0.81 LTA4H (0.69) LTA4HHRH3KDM4EALDH1A1SMN1; SMN2

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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 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 (2 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 LTA4H 4347/4885HRH3 2746/4885DRD3 4611/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 LTA4H 4347/4885HRH3 2746/4885DRD3 4611/4885

“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.