SCHEMBL7086013

SCHEMBL7086013

CCN(CC)CCOCCOc1ccc(-c2cccc(-c3cc(C)[nH]c3C)n2)c2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 9/20 0.49
NOS1 P29475 9/20 0.49
NOS2 P35228 9/20 0.49
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BIRC5 O15392 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD3 P35462 1/20 0.32
JAK2 O60674 2/20 0.32
CYP3A4 P08684 2/20 0.32
CCNA2 P20248 2/20 0.32
JAK1 P23458 2/20 0.32
CDK2 P24941 2/20 0.32
TYK2 P29597 2/20 0.32
FLT3 P36888 2/20 0.32
JAK3 P52333 2/20 0.32
CCNA1 P78396 2/20 0.32
NCF1 P14598 2/20 0.30

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
SCHEMBL5833803 0.86 NOS3 (0.67) NOS3NOS1NOS2KDM4E
SCHEMBL5833096 0.83 NOS1 (0.72) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL7083838 0.83 NOS3 (0.51) NOS3NOS1NOS2
SCHEMBL7086015 0.81 NOS3 (0.51) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL5834000 0.78 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL5833906 0.77 NOS3 (0.44) NOS3NOS1NOS2KDM4E
SCHEMBL5833973 0.77 NOS3 (0.42) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL7086012 0.77 NOS3 (0.46) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL5834308 0.76 NOS1 (0.81) NOS3NOS1NOS2
SCHEMBL5833170 0.71 NOS3 (0.35) NOS3NOS1NOS2KDM4ESMN1; SMN2

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.