SCHEMBL5834035

SCHEMBL5834035

CC1=NC(C)(c2cccc(-c3ccc(OC4CCN(Cc5ccccc5)CC4)c4ccccc34)n2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ROCK1 Q13464 2/20 0.38
MCHR1 Q99705 2/20 0.37
SCN1A P35498 2/20 0.37
SCN8A Q9UQD0 2/20 0.37
GAA P10253 1/20 0.37
HTR1D P28221 1/20 0.36
ENPP2 Q13822 1/20 0.36
ROCK2 O75116 1/20 0.36
CCR2 P41597 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL5833347 0.79 NOS3 (0.38) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL5833412 0.78 NOS3 (0.67) NOS3NOS1NOS2SMN1; SMN2ROCK1
SCHEMBL5834031 0.76 NOS3 (0.47) NOS3NOS1NOS2SMN1; SMN2ROCK1
SCHEMBL5833533 0.74 KDM4E (0.45) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL5833680 0.72 NOS3 (0.70) NOS3NOS1NOS2SMN1; SMN2ROCK1
SCHEMBL6708061 0.72 SMN1; SMN2 (0.61) SMN1; SMN2ROCK1MCHR1GAAENPP2
SCHEMBL6702591 0.71 NOS1 (0.51) NOS3NOS1
SCHEMBL6703068 0.71 DRD2 (0.42) KCNH2
Hydrochloric Acid SCHEMBL11073301 0.71 SMN1; SMN2 (0.63) SMN1; SMN2ROCK1MCHR1GAAENPP2
SCHEMBL11075146 0.70 SMN1; SMN2 (0.62) SMN1; SMN2GAA

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 5 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 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
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP 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 (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-20030149017-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.