SCHEMBL7080269

SCHEMBL7080269

CC(Oc1ccc(-c2cccc(N)n2)c(C2CC2)c1)C(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 13/20 0.41
▸ NOS3 P29474 10/20 0.41
▸ NOS2 P35228 8/20 0.41
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ PIK3CA P42336 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33

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
SCHEMBL7073279 0.96 NOS3 (0.38) NOS1NOS3NOS2ALOX5APFEN1
SCHEMBL220602 0.82 NOS1 (0.46) NOS1NOS3NOS2IDH1
SCHEMBL251144 0.78 NOS1 (0.42) NOS1NOS3NOS2ALOX5APFEN1
SCHEMBL6584706 0.75 NOS1 (0.64) NOS1NOS3NOS2
SCHEMBL958697 0.73 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL6583994 0.72 NOS3 (0.41) NOS1NOS3NOS2IDH1ALOX5AP
SCHEMBL6585159 0.72 NOS1 (0.59) NOS1NOS3NOS2ALOX5APFEN1
SCHEMBL6584246 0.72 NOS1 (0.59) NOS1NOS3NOS2ALOX5APFEN1
SCHEMBL6584972 0.70 NOS3 (0.62) NOS1NOS3NOS2CNR2
SCHEMBL956120 0.69 NOS1 (0.53) NOS1NOS3NOS2

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-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 — — US 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 (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-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 NOS1 1/4885NOS3 4/4885NOS2 3/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS1 2484/4885NOS3 2496/4885NOS2 2428/4885

“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.

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