SCHEMBL5645288

SCHEMBL5645288

Cc1ccc(C)c(COc2ccccc2Cc2c(C(C)C)[nH][nH]c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
GAA P10253 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
SLC1A5 Q15758 1/20 0.35
TACR1 P25103 1/20 0.34
CNR2 P34972 2/20 0.34
GPR18 Q14330 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
CYP19A1 P11511 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
SCHEMBL5644066 0.90 PDE9A (0.43) PDE9APDE1APDE1BPDE1CSLC1A5
SCHEMBL5644790 0.85 SLC1A5 (0.47) PDE9APDE1APDE1BPDE1CSLC1A5
SCHEMBL4857375 0.82 PDE9A (0.56) PDE9APDE1APDE1BPDE1CGAA
SCHEMBL5645745 0.77 ABCB1 (0.55) PDE9APDE1APDE1BPDE1CSLC1A5
SCHEMBL5643855 0.74 DAO (0.43) PDE9APDE1APDE1BPDE1CKDM4E
SCHEMBL5644270 0.74 SLC6A4 (0.46) PDE9APDE1APDE1BPDE1CPTGDR2
SCHEMBL5644137 0.70 PTGDR2 (0.45) GAAPTGDR2SLC1A5TACR1CDK4
SCHEMBL5645563 0.68 KAT2B (0.44) PDE9APDE1APDE1BPDE1CSLC5A1
SCHEMBL3182556 0.66 SIRT1 (0.35) GAASLC5A1SLC5A2MAPTDAO
SCHEMBL11079744 0.66 GAA (0.49) GAAPTGDR2TACR1L3MBTL1CYP19A1

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 PDE9A 3540/4885PDE1A 4389/4885PDE1B 4290/4885

“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.