SCHEMBL6697645

SCHEMBL6697645

CC(C)CN1CCC(c2ccc(-c3cccc(N)n3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.60
NOS3 P29474 6/20 0.60
ASIC3 Q9UHC3 1/20 0.40
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
IDH1 O75874 2/20 0.37
ADORA2A P29274 1/20 0.37
HTR1A P08908 1/20 0.36
PARP1 P09874 1/20 0.36
DGAT1 O75907 1/20 0.36
HSD11B1 P28845 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL7478723 0.82 NOS3 (0.43) NOS1NOS3DRD2HTR2AHRH1
SCHEMBL6699029 0.80 NOS1 (0.41) NOS1NOS3TLR9TLR8TLR7
SCHEMBL6703553 0.79 NOS3 (0.46) NOS1NOS3
SCHEMBL6699114 0.78 NOS3 (0.45) NOS1NOS3TLR8
SCHEMBL6699975 0.78 NOS3 (0.46) NOS1NOS3
SCHEMBL6697919 0.78 NOS3 (0.45) NOS1NOS3
SCHEMBL6702828 0.78 NOS3 (0.45) NOS1NOS3
SCHEMBL6702574 0.78 NOS3 (0.44) NOS1NOS3ADORA2A
SCHEMBL6700120 0.77 TRPV6 (0.42) NOS1NOS3ASIC3DRD2CHRM2
SCHEMBL6623671 0.77 NOS1 (0.70) NOS1NOS3ASIC3DRD2HTR2A

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
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US 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
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 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 (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 3/4885ASIC3 3793/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885ASIC3 3793/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885ASIC3 1659/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885ASIC3 3793/4885

“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.