SCHEMBL6700808

SCHEMBL6700808

CN(C)C1CCCC1Cc1cccc(-c2cccc(N)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.42
NOS3 P29474 7/20 0.42
NOS2 P35228 5/20 0.42
ASIC3 Q9UHC3 1/20 0.39
MAP4K4 O95819 5/20 0.36
PDPK1 O15530 1/20 0.34
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
BACE1 P56817 1/20 0.33
KARS1 Q15046 1/20 0.33
LARS1 Q9P2J5 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
SCHEMBL6700805 0.81 MAP4K4 (0.32) ASIC3MAP4K4ATP4AATP4BKARS1
SCHEMBL6700803 0.80 KARS1 (0.32) NOS1NOS3NOS2KARS1
SCHEMBL6702026 0.78 MAP4K4 (0.41) NOS1NOS3NOS2ASIC3MAP4K4
SCHEMBL6698146 0.77 MAP4K4 (0.41) NOS1NOS3ASIC3MAP4K4
SCHEMBL6700802 0.77 KARS1 (0.30) KARS1
SCHEMBL6702014 0.76 MAP4K4 (0.41) NOS1NOS3NOS2ASIC3MAP4K4
SCHEMBL6694500 0.76 NOS1 (0.43) NOS1NOS3NOS2ASIC3MAP4K4
SCHEMBL6699594 0.75 MAP4K4 (0.44) NOS1NOS3ASIC3MAP4K4
SCHEMBL6618006 0.66 HRH3 (0.62) NOS1NOS3NOS2ASIC3MAP4K4
SCHEMBL23510866 0.63 ASIC3 (0.62) NOS3NOS2ASIC3PDPK1ATP4A

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 12 patents. 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 claimed
JP-2003523941-A 2003-08-12 JP claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO 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 (4 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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885NOS2 2/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885NOS2 2/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885NOS2 6/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885NOS2 2/4885

“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.