SCHEMBL5833903

SCHEMBL5833903

CC(C)CN1CCC(Oc2ccc(-c3cccc(N)n3)c3ccccc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 14/20 0.69
NOS1 P29475 14/20 0.69
NOS2 P35228 13/20 0.69
HRH3 Q9Y5N1 1/20 0.40
MCHR1 Q99705 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL5833018 0.94 NOS3 (0.72) NOS3NOS1NOS2MCHR1
SCHEMBL5833021 0.89 NOS1 (0.65) NOS3NOS1NOS2MCHR1
SCHEMBL5833380 0.85 NOS3 (0.89) NOS3NOS1NOS2HRH3MCHR1
SCHEMBL5833412 0.84 NOS3 (0.67) NOS3NOS1NOS2HRH3MCHR1
SCHEMBL5833564 0.81 NOS3 (1.00) NOS3NOS1NOS2MCHR1
SCHEMBL5833680 0.80 NOS3 (0.70) NOS3NOS1NOS2MCHR1ROCK2
SCHEMBL5833665 0.80 NOS3 (0.61) NOS3NOS1NOS2MCHR1ROCK1
SCHEMBL5833846 0.79 NOS3 (0.69) NOS3NOS1NOS2MCHR1
SCHEMBL5833843 0.79 NOS3 (0.72) NOS3NOS1NOS2DRD2
SCHEMBL5834256 0.79 NOS3 (0.67) NOS3NOS1NOS2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
JP-2003523941-A 2003-08-12 JP 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-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS LOWE JOHN A (US) 2002-10-17 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
EP-1109556-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS Pfizer Products Inc. (US) 2001-06-27 EP disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO disclosed
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-2000009130-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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 (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-20030149017-A1 2-Aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 NOS3 2/4885NOS1 1/4885NOS2 3/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885NOS2 6/4885
US-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 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.