SCHEMBL5230640

SCHEMBL5230640

COC(=O)c1cc(F)c(N2CCCN(C(=O)OCc3ccccc3)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
DPP4 P27487 1/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL5234444 0.96 ALDH1A1 (0.48) PTGDR2ALDH1A1MAPTHTTLMNA
SCHEMBL5269391 0.93 PTGDR2 (0.49) PTGDR2ALDH1A1MAPTHTTDPP4
SCHEMBL5232102 0.92 ALDH1A1 (0.47) PTGDR2ALDH1A1MAPTHTTDPP4
SCHEMBL5229895 0.88 ALDH1A1 (0.50) PTGDR2ALDH1A1MAPTHTTLMNA
SCHEMBL21832854 0.85 ALDH1A1 (0.50) ALDH1A1MAPTHTTDPP4LMNA
SCHEMBL29896444 0.85 ALDH1A1 (0.50) ALDH1A1MAPTHTTDPP4LMNA
SCHEMBL5234105 0.80 ALDH1A1 (0.58) ALDH1A1MAPTLMNAMAPK1NPSR1
SCHEMBL5236679 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL5232635 0.78 SIGMAR1 (0.43) GRM5
SCHEMBL23703371 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 EP 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-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A PTGDR2 201/4885ALDH1A1 711/4885MAPT 4356/4885

“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.