SCHEMBL6697858

SCHEMBL6697858

Nc1cccc(-c2ccc(C3CCN(Cc4ccncc4)CC3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.48
NOS1 P29475 4/20 0.46
NOS3 P29474 3/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HSD11B1 P28845 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
TLR8 Q9NR97 1/20 0.42
ROCK2 O75116 2/20 0.41
CCR5 P51681 1/20 0.41
CXCR4 P61073 1/20 0.41
LMNA P02545 2/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL6701952 0.88 TRPV6 (0.51) TRPV6NOS1NOS3DRD2DRD4
SCHEMBL6704117 0.82 TRPV6 (0.51) TRPV6NOS1NOS3DRD2DRD4
SCHEMBL6699075 0.81 NOS1 (0.41) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6699604 0.81 NOS1 (0.41) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6620510 0.80 NOS1 (0.55) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6698924 0.80 TLR8 (0.45) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6701599 0.80 ALOX15 (0.46) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6698158 0.80 BCHE (0.51) TRPV6NOS1NOS3MEN1KMT2A
SCHEMBL6695588 0.80 TRPV6 (0.53) TRPV6NOS1NOS3DRD2DRD4
SCHEMBL6701348 0.80 TRPV6 (0.48) TRPV6NOS1NOS3DRD2DRD4

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 11 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
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP 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
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 TRPV6 2603/4885NOS1 1/4885NOS3 3/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 TRPV6 2603/4885NOS1 1/4885NOS3 3/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 TRPV6 1001/4885NOS1 1/4885NOS3 2/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 TRPV6 2603/4885NOS1 1/4885NOS3 3/4885

“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.