SCHEMBL6584944

SCHEMBL6584944

Nc1cccc(-c2cc(OC3CCN(C(=O)O)C3)ccc2C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
MCHR1 Q99705 1/20 0.40
ACACB O00763 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
F10 P00742 5/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
BTK Q06187 1/20 0.35
F2 P00734 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
RIPK1 Q13546 1/20 0.34
UCHL1 P09936 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
SCHEMBL6587914 0.87 CHEK2 (0.43) NOS3NOS1NOS2PIK3CD
SCHEMBL421347 0.84 NOS1 (0.48) NOS3NOS1NOS2MCHR1PIK3CD
SCHEMBL6583140 0.84 ALOX5AP (0.46) NOS3NOS1NOS2PDE4BHRH3
SCHEMBL957928 0.81 NOS3 (0.47) NOS3NOS1NOS2PIK3CD
2-Aminopyridine SCHEMBL6585312 0.79 NOS1 (0.46) NOS3NOS1NOS2PIK3CDPIK3CA
SCHEMBL221708 0.78 NOS1 (0.45) NOS3NOS1NOS2F10PRSS1
SCHEMBL6584972 0.77 NOS3 (0.62) NOS3NOS1NOS2
SCHEMBL6583260 0.76 NOS1 (0.42) NOS3NOS1NOS2
SCHEMBL596166 0.75 OPRK1 (0.44) RIPK1
SCHEMBL596167 0.75 OPRK1 (0.44) RIPK1

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
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 EP disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 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-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 NOS3 4/4885NOS1 1/4885NOS2 3/4885

“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.