SCHEMBL6367000

SCHEMBL6367000

O=C(O)c1cc(C2CCCC2)[nH]n1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.93
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
KDM5A P29375 3/20 0.49
DAO P14920 1/20 0.47
KMO O15229 1/20 0.46
CCNA2 P20248 4/20 0.46
CDK2 P24941 4/20 0.46
CCNA1 P78396 4/20 0.46
TACR3 P29371 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL16564029 0.98 HCAR2 (0.90) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6761699 0.96 HCAR2 (1.00) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3517472 0.93 HCAR2 (1.00) HCAR2KDM5ADAOCCNA2CDK2
SCHEMBL27620587 0.78 HCAR2 (0.59) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4127272 0.77 HCAR2 (0.57) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25139438 0.76 HCAR2 (0.71) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3929157 0.76 HCAR2 (0.71) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16564121 0.76 HCAR2 (0.56) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3387649 0.73 HCAR2 (0.61) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL18711801 0.72 HCAR2 (0.65) HCAR2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 US disclosed
CN-1575191-A Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER PROD INC (US) 2005-02-02 CN disclosed
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 US disclosed
EP-1444009-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS Pfizer Products Inc. (US) 2004-08-11 EP disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 US disclosed
WO-2003037432-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-05-08 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 (3 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-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCAR2 1033/4885HDAC3 1506/4885HDAC4 976/4885
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 HCAR2 1162/4885HDAC3 1008/4885HDAC4 1271/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCAR2 1033/4885HDAC3 1506/4885HDAC4 976/4885

“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.