SCHEMBL6696896

SCHEMBL6696896

Nc1cccc(-c2ccc(C(Cc3ccccc3)C3CCCCN3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.61
SLC6A4 P31645 11/20 0.61
SLC6A3 Q01959 11/20 0.61
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6704141 0.87 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ASIC3
SCHEMBL6701144 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL7245886 0.66 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL27474953 0.66 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL6622031 0.65 NOS1 (0.47) NOS3NOS1ASIC3
SCHEMBL6621698 0.65 NOS1 (0.64) SLC6A4SLC6A3NOS3NOS1ASIC3
SCHEMBL9371327 0.64 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL10326911 0.64 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL10326624 0.64 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL10327324 0.64 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3

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 14 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
EP-0946512-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 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 SLC6A2 176/4885SLC6A4 380/4885SLC6A3 326/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 SLC6A2 176/4885SLC6A4 380/4885SLC6A3 326/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 SLC6A2 173/4885SLC6A4 332/4885SLC6A3 312/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 SLC6A2 176/4885SLC6A4 380/4885SLC6A3 326/4885

“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.