SCHEMBL6701515

SCHEMBL6701515

Nc1cccc(-c2ccc(-c3ccc(CN4CC5C(N)C5C4)cc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 11/20 0.51
NOS3 P29474 9/20 0.51
ASIC3 Q9UHC3 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
DRD2 P14416 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
NOS2 P35228 3/20 0.37
BRS3 P32247 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
DRD4 P21917 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
SCHEMBL6620225 0.99 NOS1 (0.52) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6696466 0.90 NOS1 (0.47) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6700069 0.87 NOS1 (0.65) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6617498 0.86 NOS1 (0.67) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6620510 0.80 NOS1 (0.55) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6622429 0.78 NOS1 (0.57) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6620406 0.78 CYP2D6 (0.61) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL6618181 0.76 NOS1 (0.64) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL21755925 0.74 JAK1 (0.58) NOS1NOS3ASIC3CHRM2CHRM4
SCHEMBL30567311 0.74 JAK1 (0.58) NOS1NOS3ASIC3CHRM2CHRM4

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 3/4885ASIC3 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.