SCHEMBL6695826

SCHEMBL6695826

CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3NC(=O)CN3CCCC3)nc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 7/20 0.77
▸ PDE1C Q14123 5/20 0.53
▸ PDE5A O76074 2/20 0.45
▸ PDE1A P54750 1/20 0.45
▸ PDE1B Q01064 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TLR9 Q9NR96 3/20 0.31
▸ TLR8 Q9NR97 3/20 0.31
▸ TLR7 Q9NYK1 3/20 0.31
▸ PARP1 P09874 4/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL5065639 1.00 PDE9A (0.77) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6692160 0.87 PDE9A (0.58) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6695628 0.85 PDE9A (0.57) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6689237 0.85 PDE9A (0.56) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6686774 0.85 PDE9A (0.56) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6758950 0.85 PDE9A (0.56) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6763582 0.84 PDE9A (0.55) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6875142 0.84 PDE9A (0.55) PDE9APDE1CPDE5APDE1APDE1B
SCHEMBL6694674 0.84 PDE9A (0.55) PDE9APDE1CPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL6756687 0.83 PDE9A (0.54) PDE9APDE1CPDE5APDE1APDE1B

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
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 — — WO claimed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 — — US claimed
US-20210386743-A1 USE OF PDE9 INHIBITORS FOR TREATMENT THE JOHNS HOPKINS UNIVERSTY 2021-12-16 — — 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-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 PDE9A 1/4885PDE1C 22/4885PDE5A 4/4885

“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.

Send feedback