SCHEMBL6587914

SCHEMBL6587914

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C3CC3)c(-c3cccc(N)n3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.43
USP30 Q70CQ3 1/20 0.43
PIK3CD O00329 4/20 0.43
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
GPR119 Q8TDV5 3/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6583140 0.96 ALOX5AP (0.46) CHEK2USP30PIK3CDALOX5APFEN1
SCHEMBL957928 0.94 NOS3 (0.47) CHEK2USP30PIK3CDALOX5APFEN1
SCHEMBL6584944 0.87 NOS3 (0.43) PIK3CDNOS3NOS1NOS2
SCHEMBL4291063 0.87 PIK3CD (0.46) CHEK2USP30PIK3CDGPR119NOS3
SCHEMBL15122119 0.84 NOS3 (0.51) CHEK2USP30PIK3CDALOX5APFEN1
SCHEMBL6695725 0.79 CACNB4 (0.43) CHEK2USP30NOS3NOS1NOS2
SCHEMBL8248136 0.78 USP30 (0.56) CHEK2USP30PIK3CDGPR119KDM1A
SCHEMBL1032633 0.78 USP30 (0.56) CHEK2USP30PIK3CDGPR119KDM1A
SCHEMBL28059314 0.78 USP30 (0.56) CHEK2USP30PIK3CDGPR119KDM1A
SCHEMBL31031682 0.76 GPR119 (0.52) CHEK2USP30PIK3CDGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 US disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO disclosed
EP-0958282-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES Pfizer Products Inc. (US) 1999-11-24 EP disclosed
WO-1998034919-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PRODUCTS INC. (US) 1998-08-13 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 (4 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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 CHEK2 4158/4885USP30 2103/4885PIK3CD 4029/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 CHEK2 3100/4885USP30 3334/4885PIK3CD 2575/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 CHEK2 4241/4885USP30 2182/4885PIK3CD 2245/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 CHEK2 4157/4885USP30 2511/4885PIK3CD 4395/4885

“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.