SCHEMBL7086015

SCHEMBL7086015

CCN(CC)CCOCCOc1ccc(-c2cccc(-n3c(C)ccc3C)n2)c2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 9/20 0.51
NOS1 P29475 9/20 0.51
NOS2 P35228 9/20 0.51
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD3 P35462 1/20 0.33
BIRC5 O15392 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
SLC22A1 O15245 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
PRCP P42785 1/20 0.31

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
SCHEMBL5833806 0.85 NOS3 (0.69) NOS3NOS1NOS2KDM4E
SCHEMBL5833096 0.84 NOS1 (0.72) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL7083841 0.82 NOS3 (0.53) NOS3NOS1NOS2SMN1; SMN2ALDH1A1
SCHEMBL7086013 0.81 NOS3 (0.49) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL7086012 0.78 NOS3 (0.46) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL5834308 0.78 NOS1 (0.81) NOS3NOS1NOS2
SCHEMBL5833910 0.76 NOS3 (0.46) NOS3NOS1NOS2KDM4E
SCHEMBL5833977 0.76 NOS3 (0.44) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL5833174 0.71 NOS3 (0.38) NOS3NOS1NOS2KDM4ESMN1; SMN2
SCHEMBL6583126 0.70 NOS3 (0.50) 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.