SCHEMBL5833588

SCHEMBL5833588

CN(C)CCOc1ccc(B(O)O)c2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
NOS2 P35228 3/20 0.50
KDM4E B2RXH2 5/20 0.43
HTR7 P34969 3/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HTR1B P28222 1/20 0.39
ESR1 P03372 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 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
SCHEMBL5833297 0.78 HTR7 (0.54) NOS3NOS1NOS2KDM4EHTR7
Dimethylamine SCHEMBL5833595 0.77 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6164935 0.75 ADRA1A (0.46) KDM4EALDH1A1GAA
SCHEMBL1356087 0.75 LIPE (0.58) MAPK1
SCHEMBL5833582 0.73 ADRB1 (0.30) KDM4E
SCHEMBL15331044 0.72 HTR7 (0.59) KDM4EHTR7HTR1BALDH1A1SMN1; SMN2
SCHEMBL2560817 0.72 CYP1A2 (0.53) KDM4EHTR7HTR1BESR1ALDH1A1
SCHEMBL2561929 0.71 KDM4E (0.59) KDM4EHTR7HTR1BESR1ALDH1A1
SCHEMBL2558550 0.71 HTR2A (0.46) KDM4EHTR7HRH3HTR1BALDH1A1
SCHEMBL5833039 0.67 NOS1 (1.00) NOS3NOS1NOS2HTR7

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 6 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
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 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 (2 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
US-20010049379-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.