SCHEMBL5064284

SCHEMBL5064284

CC(C)c1n[nH]c2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.77
PDE1C Q14123 5/20 0.77
PDE1A P54750 4/20 0.77
PDE1B Q01064 4/20 0.77
PDE5A O76074 1/20 0.77
DRD1 P21728 3/20 0.48
DRD5 P21918 2/20 0.48
DRD4 P21917 1/20 0.48
ADCY10 Q96PN6 2/20 0.42
MAOB P27338 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
AKT1 P31749 2/20 0.38
PRKDC P78527 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30947390 1.00 PDE9A (0.77) PDE9APDE1CPDE1APDE1BPDE5A
Hydrochloric Acid SCHEMBL6756650 0.99 PDE9A (0.76) PDE9APDE1CPDE1APDE1BPDE5A
SCHEMBL5067596 0.92 PDE9A (0.65) PDE9APDE1CPDE1APDE1BPDE5A
SCHEMBL30947387 0.92 PDE9A (0.65) PDE9APDE1CPDE1APDE1BPDE5A
SCHEMBL30947397 0.90 PDE9A (0.64) PDE9APDE1CPDE1APDE1BPDE5A
SCHEMBL5061553 0.90 PDE9A (0.64) PDE9APDE1CPDE1APDE1BPDE5A
Hydrochloric Acid SCHEMBL6864925 0.90 PDE9A (0.63) PDE9APDE1CPDE1APDE1BPDE5A
SCHEMBL5064889 0.87 PDE9A (0.60) PDE9APDE1CPDE1APDE1BPDE5A
SCHEMBL30947398 0.86 PDE9A (0.57) PDE9APDE1CPDE1APDE1BPDE5A
SCHEMBL5061392 0.86 PDE9A (0.57) PDE9APDE1CPDE1APDE1BPDE5A

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 5 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-20080282364-A1 Phosphodiesterase 9 Inhibition as Treatment for Obesity-Related Conditions BLACK SHAWN C 2008-11-13 US disclosed
EP-1686998-A1 PHOSPHODIESTERASE 9 INHIBITION AS TREATMENT FOR OBESITY-RELATED CONDITIONS Pfizer Products Inc. (US) 2006-08-09 EP disclosed
WO-2005041972-A1 PHOSPHODIESTERASE 9 INHIBITION AS TREATMENT FOR OBESITY-RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 2005-05-12 WO 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 22/4885PDE1A 12/4885

“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.