SCHEMBL7083997

SCHEMBL7083997

Nc1cccc(-c2ccc(OCCOCCN3CCCCC3)c3ccccc23)n1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 12/20 0.85
NOS1 P29475 12/20 0.85
NOS2 P35228 12/20 0.85
HRH3 Q9Y5N1 4/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5833909 0.93 NOS3 (0.98) NOS3NOS1NOS2HRH3HTR2A
SCHEMBL5834017 0.92 NOS3 (1.00) NOS3NOS1NOS2HRH3HTR2A
SCHEMBL7083855 0.91 NOS3 (0.88) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL7126075 0.84 NOS3 (0.79) NOS3NOS1NOS2HRH3HTR2A
SCHEMBL5834368 0.84 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL5833641 0.83 NOS3 (0.81) NOS3NOS1NOS2KDM4E
SCHEMBL5833437 0.81 NOS1 (0.78) NOS3NOS1NOS2HTR2AHTR7
SCHEMBL5833259 0.79 NOS3 (0.75) NOS3NOS1NOS2
SCHEMBL5833767 0.79 NOS3 (0.76) NOS3NOS1NOS2
SCHEMBL7409113 0.79 NOS3 (0.75) NOS3NOS1NOS2HRH3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155000-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PROD INC (US) 2003-07-16 EP claimed
US-20010014689-A1 2-aminopyridines containing fused ring substituents LOWE JOHN A (US) 2001-08-16 US claimed
US-6211208-B1 INHIBITION OF NITRIC OXIDE SYNTHETASE, ANTIINFLAMMATORY AGENTS PFIZER INC 2001-04-03 US claimed
EP-1155000-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6372768-B2 NERVOUS SYSTEM DISORDERS PFIZER INC 2002-04-16 US disclosed
EP-1155000-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS Pfizer Products Inc. (US) 2001-11-21 EP disclosed
US-20010014689-A1 2-aminopyridines containing fused ring substituents LOWE JOHN A (US) 2001-08-16 US disclosed
US-6211208-B1 INHIBITION OF NITRIC OXIDE SYNTHETASE, ANTIINFLAMMATORY AGENTS PFIZER INC 2001-04-03 US disclosed
WO-2000050400-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PRODUCTS INC. (US) 2000-08-31 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 (1 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-20010014689-A1 2-aminopyridines containing fused ring substituents CBR1, CBR3, NOS2 NOS3 4/4885NOS1 5/4885NOS2 3/4885

“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.