SCHEMBL7086012

SCHEMBL7086012

CCN(CC)CCOCCOc1ccc(-c2cccc(C3(C)C=CC(C)=N3)n2)c2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.46
NOS1 P29475 8/20 0.46
NOS2 P35228 8/20 0.46
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL7083835 0.84 NOS3 (0.47) NOS3NOS1NOS2
Dimethylamine SCHEMBL5833808 0.82 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL5833998 0.80 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL5833096 0.79 NOS1 (0.72) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL5833902 0.79 NOS3 (0.41) NOS3NOS1NOS2KDM4E
SCHEMBL5833970 0.79 NOS3 (0.39) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL7086015 0.78 NOS3 (0.51) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL7086013 0.77 NOS3 (0.49) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL5833799 0.76 NOS3 (0.40) NOS3NOS1NOS2
SCHEMBL5833168 0.74 NOS3 (0.32) NOS3NOS1NOS2KDM4E

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 4 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 disclosed
US-6372768-B2 NERVOUS SYSTEM DISORDERS PFIZER INC 2002-04-16 US 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

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.