SCHEMBL6701952

SCHEMBL6701952

Nc1cccc(-c2ccc(C3CCN(Cc4cccnc4)CC3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.51
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
DRD2 P14416 3/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL6697858 0.88 TRPV6 (0.48) TRPV6LMNANOS3NOS1DRD2
SCHEMBL6698924 0.80 TLR8 (0.45) NOS3NOS1DRD2DRD4DRD3
SCHEMBL6704117 0.79 TRPV6 (0.51) TRPV6TSHRNOS3NOS1DRD2
SCHEMBL6699604 0.78 NOS1 (0.41) LMNANOS3NOS1DRD2DRD4
SCHEMBL6699075 0.78 NOS1 (0.41) LMNANOS3NOS1DRD2DRD4
SCHEMBL6701599 0.77 ALOX15 (0.46) NOS3NOS1DRD2DRD4DRD3
SCHEMBL6695588 0.77 TRPV6 (0.53) TRPV6LMNATSHRNOS3NOS1
SCHEMBL6698158 0.77 BCHE (0.51) TRPV6TSHRNOS3NOS1TLR9
SCHEMBL6701348 0.77 TRPV6 (0.48) TRPV6LMNANOS3NOS1DRD2
SCHEMBL6695713 0.76 NOS3 (0.54) NOS3NOS1DRD2DRD4DRD3

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 2603/4885LMNA 2947/4885TSHR 1383/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 TRPV6 2603/4885LMNA 2947/4885TSHR 1383/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 TRPV6 1001/4885LMNA 3698/4885TSHR 678/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 TRPV6 2603/4885LMNA 2947/4885TSHR 1383/4885

“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.