SCHEMBL6583124

SCHEMBL6583124

Cc1cc(-c2cccc(-c3ccc(OCCN(C)C)c(C)c3C)n2)c(C)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.48
NOS3 P29474 7/20 0.48
NOS2 P35228 5/20 0.48
HTR7 P34969 5/20 0.40
HTR1B P28222 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ROCK2 O75116 1/20 0.34
PTPN1 P18031 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL5833803 0.85 NOS3 (0.67) NOS1NOS3NOS2HTR7HTR1B
SCHEMBL6152658 0.82 NOS3 (0.68) NOS1NOS3NOS2HTR7HTR1B
SCHEMBL252053 0.80 NOS1 (0.73) NOS1NOS3NOS2HTR7
SCHEMBL6583126 0.77 NOS3 (0.50) NOS1NOS3NOS2HTR7HTR1B
SCHEMBL7083838 0.73 NOS3 (0.51) NOS1NOS3NOS2
SCHEMBL27981576 0.72 NOS3 (0.44) NOS1NOS3NOS2HTR7HTR1B
SCHEMBL6584801 0.72 AR (0.34) KDM4E
SCHEMBL7086013 0.71 NOS3 (0.49) NOS1NOS3NOS2KDM4EFLT3
SCHEMBL6583121 0.71 NOS3 (0.44) NOS1NOS3NOS2HTR7HTR1B
SCHEMBL5833350 0.69 PTGER1 (0.42) NOS1NOS3NOS2

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 NOS1 1/4885NOS3 4/4885NOS2 3/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS1 2484/4885NOS3 2496/4885NOS2 2428/4885

“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.