SCHEMBL6701599

SCHEMBL6701599

Nc1cccc(-c2ccc(C3CCN(Cc4ncc[nH]4)CC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
NOS1 P29475 4/20 0.41
NOS3 P29474 3/20 0.41
PARP1 P09874 1/20 0.40
DRD4 P21917 2/20 0.40
SCN9A Q15858 1/20 0.38
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DRD3 P35462 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
DGAT1 O75907 1/20 0.35
HSD11B1 P28845 2/20 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
SCHEMBL6704117 0.81 TRPV6 (0.51) NOS1NOS3DRD4DRD2HTR1A
SCHEMBL6697858 0.80 TRPV6 (0.48) NOS1NOS3DRD4DRD2HTR1A
SCHEMBL27396701 0.79 ALOX15 (0.61) ALOX15DRD4DRD2ALDH1A1KDM4E
SCHEMBL6699974 0.79 NOS1 (0.43) NOS1NOS3DRD4DRD2HTR1A
Hydrochloric Acid SCHEMBL8569868 0.78 ALOX15 (0.59) ALOX15DRD4DRD2ALDH1A1KDM4E
SCHEMBL6701952 0.77 TRPV6 (0.51) NOS1NOS3DRD4DRD2HTR1A
SCHEMBL6699604 0.77 NOS1 (0.41) NOS1NOS3DRD4DRD2HTR1A
SCHEMBL6699075 0.77 NOS1 (0.41) NOS1NOS3DRD4DRD2HTR1A
SCHEMBL6701348 0.76 TRPV6 (0.48) NOS1NOS3PARP1DRD4DRD2
SCHEMBL6698924 0.74 TLR8 (0.45) NOS1NOS3DRD4DRD2KDM4E

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 ALOX15 723/4885NOS1 1/4885NOS3 3/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 ALOX15 723/4885NOS1 1/4885NOS3 3/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 ALOX15 1211/4885NOS1 1/4885NOS3 2/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 ALOX15 723/4885NOS1 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.