SCHEMBL5833686

SCHEMBL5833686

Nc1cccc(-c2ccc(CCN3CCC(C(c4ccccc4)c4ccccc4)CC3)c3ccccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 13/20 0.48
NOS1 P29475 13/20 0.48
NOS2 P35228 8/20 0.48
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL5833425 0.82 NOS1 (0.66) NOS3NOS1NOS2HTR2ACHRM2
SCHEMBL6617583 0.80 NOS1 (0.71) NOS3NOS1BACE1KDM4ECYP1A2
SCHEMBL5833939 0.76 NOS1 (0.52) NOS3NOS1NOS2CHRM2CHRM4
SCHEMBL8314311 0.72 NOS1 (0.60) NOS3NOS1BACE1KDM4ECYP1A2
SCHEMBL5833626 0.70 NOS1 (0.69) NOS3NOS1NOS2TSHRCHRM2
SCHEMBL5833899 0.69 ABCB1 (0.54) NOS3NOS1NOS2
SCHEMBL7754129 0.68 CARM1 (0.55) BACE1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5833259 0.67 NOS3 (0.75) NOS3NOS1NOS2
SCHEMBL5833437 0.67 NOS1 (0.78) NOS3NOS1NOS2HTR2ACHRM2
SCHEMBL6619732 0.66 NOS1 (0.50) NOS3NOS1NOS2HTR2ACHRM2

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.