SCHEMBL6583140

SCHEMBL6583140

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C3CCC3)c(-c3cccc(N)n3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.46
FEN1 P39748 4/20 0.46
CHEK2 O96017 2/20 0.44
USP30 Q70CQ3 1/20 0.42
PIK3CD O00329 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KDM1A O60341 1/20 0.40
PDE4B Q07343 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
SCHEMBL6587914 0.96 CHEK2 (0.43) ALOX5APFEN1CHEK2USP30PIK3CD
SCHEMBL957928 0.90 NOS3 (0.47) ALOX5APFEN1CHEK2USP30PIK3CD
SCHEMBL4291063 0.85 PIK3CD (0.46) CHEK2USP30PIK3CDGPR119NOS3
SCHEMBL6584944 0.84 NOS3 (0.43) PIK3CDHRH3NOS3NOS1NOS2
SCHEMBL15122119 0.82 NOS3 (0.51) ALOX5APFEN1CHEK2USP30PIK3CD
SCHEMBL6695725 0.78 CACNB4 (0.43) CHEK2USP30NOS3NOS1NOS2
SCHEMBL28059314 0.77 USP30 (0.56) CHEK2USP30PIK3CDGPR119KDM1A
SCHEMBL8248136 0.77 USP30 (0.56) CHEK2USP30PIK3CDGPR119KDM1A
SCHEMBL1032633 0.77 USP30 (0.56) CHEK2USP30PIK3CDGPR119KDM1A
SCHEMBL956395 0.76 NOS3 (0.60) CHEK2NOS3NOS1NOS2

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
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
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
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 (2 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-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 ALOX5AP 251/4885FEN1 3816/4885CHEK2 3100/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 ALOX5AP 1604/4885FEN1 4809/4885CHEK2 4157/4885

“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.