SCHEMBL5833256

SCHEMBL5833256

CN1CC(Oc2ccc(-c3cccc(N)n3)c3ccccc23)C1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 17/20 0.84
NOS3 P29474 16/20 0.84
NOS2 P35228 16/20 0.84
SLC6A4 P31645 2/20 0.38
HTR6 P50406 1/20 0.38
ASIC3 Q9UHC3 1/20 0.36

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
SCHEMBL5833564 0.92 NOS3 (1.00) NOS1NOS3NOS2SLC6A4HTR6
SCHEMBL5833380 0.88 NOS3 (0.89) NOS1NOS3NOS2
SCHEMBL5833846 0.87 NOS3 (0.69) NOS1NOS3NOS2SLC6A4
SCHEMBL5833843 0.84 NOS3 (0.72) NOS1NOS3NOS2SLC6A4HTR6
SCHEMBL5833021 0.84 NOS1 (0.65) NOS1NOS3NOS2
SCHEMBL5833384 0.82 NOS1 (0.65) NOS1NOS3NOS2ASIC3
SCHEMBL5833226 0.82 NOS3 (0.65) NOS1NOS3NOS2SLC6A4
SCHEMBL5834256 0.81 NOS3 (0.67) NOS1NOS3NOS2
SCHEMBL5833667 0.80 NOS3 (0.66) NOS1NOS3NOS2
SCHEMBL5833523 0.79 NOS3 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007520-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PROD INC (US) 2003-08-27 EP claimed
US-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US disclosed
EP-1007520-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PROD INC (US) 2003-08-27 EP disclosed
US-20030149017-A1 2-Aminopyridines containing fused ring substituents PFIZER INC. 2003-08-07 US disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999010339-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-04 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-20030149017-A1 2-Aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS1 2/4885NOS3 3/4885NOS2 1/4885
US-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS1 2/4885NOS3 3/4885NOS2 1/4885

“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.