SCHEMBL6701137

SCHEMBL6701137

Cc1cc(-c2cccc(-c3ccc(CC4CCCCN4Cc4ccccc4)cc3)n2)c(C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
DAGLA Q9Y4D2 2/20 0.40
KCNH2 Q12809 1/20 0.38
HDAC1 Q13547 1/20 0.38
DAGLB Q8NCG7 2/20 0.38
CHEK2 O96017 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SPHK2 Q9NRA0 2/20 0.37

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
SCHEMBL6696888 0.79 NOS3 (0.53) DRD2DRD4DRD3DAGLADAGLB
SCHEMBL6701142 0.79 DAGLA (0.42) SPHK1DRD2DRD4DRD3DAGLA
SCHEMBL6700238 0.77 DRD2 (0.53) DRD2DRD4DRD3
SCHEMBL6703069 0.77 DRD2 (0.48) DRD2DRD4DRD3KCNH2
SCHEMBL6702593 0.75 NOS1 (0.54) DRD2DRD4DRD3
SCHEMBL6701134 0.74 DAGLA (0.39) SPHK1DRD2DRD4DRD3DAGLA
SCHEMBL27492 0.73
SCHEMBL6699264 0.73 PTGS2 (0.42)
SCHEMBL6695607 0.72 GABRA1 (0.39) DRD2DRD4DRD3
Ammonia Solution, Strong SCHEMBL7288994 0.72

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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 SPHK1 1917/4885DRD2 661/4885DRD4 877/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 SPHK1 1917/4885DRD2 661/4885DRD4 877/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 SPHK1 1917/4885DRD2 661/4885DRD4 877/4885

“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.