SCHEMBL8276023

SCHEMBL8276023

CCOCCNCCc1cc(OC)c(-c2cccc(N)n2)cc1CC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 10/20 0.64
▸ NOS3 P29474 6/20 0.64
▸ HTR2A P28223 7/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ NCF1 P14598 1/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL8275766 0.91 NOS1 (0.62) NOS1NOS3PDCD1LG2CD274
SCHEMBL8276020 0.88 NOS1 (0.71) NOS1NOS3HTR2AHTR2CSLC2A1
SCHEMBL8276021 0.86 NOS1 (0.80) NOS1NOS3HTR2AHTR2CSLC2A1
SCHEMBL8275857 0.84 NOS1 (0.58) NOS1NOS3HTR2AHTR2CPDCD1LG2
SCHEMBL8276018 0.84 NOS1 (0.64) NOS1NOS3HTR2AHTR2C
SCHEMBL8276084 0.84 NOS1 (0.64) NOS1NOS3HTR2AHTR2C
SCHEMBL8276013 0.82 NOS1 (0.68) NOS1NOS3NOS2
SCHEMBL8276073 0.82 NOS1 (0.68) NOS1NOS3HTR2ANOS2
SCHEMBL8276047 0.80 NOS1 (0.66) NOS1NOS3NOS2
SCHEMBL8276106 0.80 NOS1 (0.66) NOS1NOS3HTR2AHTR2CNOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 — — US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 — — 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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885HTR2A 816/4885

“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.

Send feedback