SCHEMBL8096602

SCHEMBL8096602

Nc1cccc(-c2ccc(OCCN3CCCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.60
NOS1 P29475 4/20 0.60
NOS2 P35228 3/20 0.60
LTA4H P09960 6/20 0.59
HRH3 Q9Y5N1 4/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
KCNH2 Q12809 1/20 0.53
ACHE P22303 2/20 0.52
MAP4K4 O95819 1/20 0.52
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL4080135 0.82 LTA4H (0.56) LTA4HHRH3PTGS1PTGS2ACHE
SCHEMBL420575 0.80 NOS3 (0.56) NOS3NOS1NOS2LTA4HMAP4K4
SCHEMBL220877 0.80 NOS3 (0.61) NOS3NOS1NOS2LTA4HHRH3
SCHEMBL22838451 0.79 LTA4H (0.56) LTA4HHRH3PTGS1PTGS2MAP4K4
SCHEMBL221746 0.79 NOS3 (0.60) NOS3NOS1NOS2MAP4K4
SCHEMBL221914 0.79 NOS3 (0.63) NOS3NOS1NOS2LTA4H
SCHEMBL6582950 0.78 NOS3 (0.62) NOS3NOS1NOS2LTA4HADORA2A
SCHEMBL218605 0.78 NOS3 (0.59) NOS3NOS1NOS2LTA4HHRH3
SCHEMBL220392 0.78 NOS3 (0.59) NOS3NOS1NOS2LTA4HHRH3
SCHEMBL221361 0.78 NOS3 (0.62) NOS3NOS1NOS2LTA4HMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885NOS2 6/4885

“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.