SCHEMBL5645563

SCHEMBL5645563

CC(C)c1[nH][nH]c(=O)c1Cc1ccccc1OC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.44
BAZ2B Q9UIF8 1/20 0.44
HRH1 P35367 6/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PDE9A O76083 2/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
PSMB5 P28074 1/20 0.36
CHKA P35790 1/20 0.36
CARM1 Q86X55 3/20 0.35
PRMT1 Q99873 3/20 0.35
NR3C1 P04150 1/20 0.35
C5AR1 P21730 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
SCHEMBL5644417 0.89 CARM1 (0.46) HRH1PDE9APDE1APDE1BPDE1C
SCHEMBL3173140 0.83 KAT2B (0.40) KAT2BPDE9APDE1APDE1BPDE1C
SCHEMBL5644270 0.75 SLC6A4 (0.46) HRH1PDE9APDE1APDE1BPDE1C
SCHEMBL5644066 0.74 PDE9A (0.43) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL5702483 0.73 KAT2B (0.56) KAT2BBAZ2BHRH1PSEN1PSEN2
SCHEMBL22957644 0.73 KAT2B (0.50) KAT2BBAZ2BHRH1PSEN1PSEN2
SCHEMBL16814965 0.71 KAT2B (0.57) KAT2BBAZ2BHRH1PSEN1PSEN2
SCHEMBL22957813 0.69 PDE4D (0.42) KAT2BBAZ2BHRH1PSMB5
SCHEMBL5702492 0.69 KAT2B (0.50) KAT2BBAZ2BHRH1PSEN1PSEN2
SCHEMBL5645288 0.68 PDE9A (0.40) PDE9APDE1APDE1BPDE1CSLC5A1

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-7217697-B2 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1400529-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-03-24 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-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor SLC5A1, SLC5A2, UGGT1 KAT2B 4580/4885BAZ2B 4268/4885HRH1 3382/4885

“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.