SCHEMBL7083841

SCHEMBL7083841

Cc1ccc(C)n1-c1cccc(-c2ccc(OCCO)c3c2CCCC3)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 11/20 0.53
NOS1 P29475 11/20 0.53
NOS2 P35228 11/20 0.53
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
MAP3K5 Q99683 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AHR P35869 1/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL5833806 0.88 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL5833910 0.85 NOS3 (0.46) NOS3NOS1NOS2RXRARXRB
SCHEMBL5833977 0.82 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL7086015 0.82 NOS3 (0.51) NOS3NOS1NOS2ALDH1A1TMEM97
SCHEMBL7079814 0.80 NOS1 (0.74) NOS3NOS1NOS2
SCHEMBL5833174 0.80 NOS3 (0.38) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL7083838 0.78 NOS3 (0.51) NOS3NOS1NOS2MMP1MMP2
SCHEMBL7083835 0.74 NOS3 (0.47) NOS3NOS1NOS2
SCHEMBL6583126 0.71 NOS3 (0.50) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL5833039 0.69 NOS1 (1.00) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155000-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6372768-B2 NERVOUS SYSTEM DISORDERS PFIZER INC 2002-04-16 US disclosed
US-20010014689-A1 2-aminopyridines containing fused ring substituents LOWE JOHN A (US) 2001-08-16 US disclosed
US-6211208-B1 INHIBITION OF NITRIC OXIDE SYNTHETASE, ANTIINFLAMMATORY AGENTS PFIZER INC 2001-04-03 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-20010014689-A1 2-aminopyridines containing fused ring substituents CBR1, CBR3, NOS2 NOS3 4/4885NOS1 5/4885NOS2 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.