SCHEMBL6583121

SCHEMBL6583121

CC1=NC(C)(c2cccc(-c3ccc(OCCN(C)C)c(C)c3C)n2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.44
NOS1 P29475 7/20 0.44
NOS2 P35228 5/20 0.44
HTR1B P28222 4/20 0.38
HTR7 P34969 5/20 0.37
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTR1D P28221 1/20 0.31

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
SCHEMBL5833516 0.84 NOS3 (0.53) NOS3NOS1NOS2HTR1BADRB2
SCHEMBL252053 0.76 NOS1 (0.73) NOS3NOS1NOS2HTR7
SCHEMBL7083835 0.75 NOS3 (0.47) NOS3NOS1NOS2
SCHEMBL7086012 0.74 NOS3 (0.46) NOS3NOS1NOS2KDM4E
Dimethylamine SCHEMBL5833808 0.73 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL6583126 0.73 NOS3 (0.50) NOS3NOS1NOS2HTR1BHTR7
SCHEMBL5833347 0.72 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL6583124 0.71 NOS1 (0.48) NOS3NOS1NOS2HTR1BHTR7
SCHEMBL5833533 0.71 KDM4E (0.45) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL5833799 0.71 NOS3 (0.40) NOS3NOS1NOS2

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