SCHEMBL6703073

SCHEMBL6703073

Cc1ccc(C)n1-c1cccc(-c2ccc(C3CCCN(Cc4ccccc4)C3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PDE2A O00408 5/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
HPGDS O60760 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6700239 0.89 DRD2 (0.47) DRD2DRD4DRD3
SCHEMBL6695713 0.82 NOS3 (0.54) DRD2DRD4DRD3CNR2ALDH1A1
SCHEMBL6703069 0.79 DRD2 (0.48) DRD2DRD4DRD3CNR2ALDH1A1
SCHEMBL22794988 0.77 CYP2D6 (0.62) DRD2DRD4DRD3CNR2ALDH1A1
SCHEMBL22794990 0.77 CYP2D6 (0.62) DRD2DRD4DRD3CNR2ALDH1A1
SCHEMBL22795508 0.77 CYP2D6 (0.62) DRD2DRD4DRD3CNR2ALDH1A1
SCHEMBL6703068 0.76 DRD2 (0.42) DRD2DRD4DRD3CNR2ALDH1A1
SCHEMBL6699797 0.76 P2RY14 (0.44) DRD2DRD4DRD3ALDH1A1
SCHEMBL6702595 0.76 NOS1 (0.58) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL6695609 0.75 GABRA1 (0.38) DRD2DRD4DRD3ALDH1A1HTR2C

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 DRD2 661/4885DRD4 877/4885DRD3 932/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 DRD2 661/4885DRD4 877/4885DRD3 932/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 DRD2 661/4885DRD4 877/4885DRD3 932/4885

“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.