SCHEMBL5202161

SCHEMBL5202161

COc1ccc(CN2CCCC(Oc3ccc(-n4ccnc4)cc3)C2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.70
MCHR1 Q99705 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ROCK2 O75116 2/20 0.46
PDE2A O00408 1/20 0.46
KAT2B Q92831 1/20 0.46
DRD4 P21917 3/20 0.45
ROCK1 Q13464 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL5205937 0.83 NOS2 (0.58) NOS2MCHR1HRH3ROCK2KAT2B
SCHEMBL5202294 0.83 NOS2 (1.00) NOS2MCHR1HRH3ROCK2PDE2A
SCHEMBL5201831 0.83 NOS2 (1.00) NOS2MCHR1HRH3ROCK2PDE2A
SCHEMBL5201861 0.83 NOS2 (1.00) NOS2MCHR1HRH3ROCK2PDE2A
SCHEMBL5206219 0.80 NOS2 (0.95) NOS2MCHR1HRH3KDM4EALDH1A1
SCHEMBL5203057 0.77 NOS2 (0.90) NOS2MCHR1
SCHEMBL5203317 0.77 NOS2 (0.90) NOS2MCHR1
SCHEMBL5203041 0.77 NOS2 (0.90) NOS2MCHR1
SCHEMBL19850982 0.71 PDE2A (0.55) NOS2HRH3ROCK2PDE2AKAT2B
SCHEMBL1332712 0.71 CYP2D6 (0.59) SIGMAR1LMNAMEN1KMT2ATMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP claimed
EP-1501504-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-02 EP claimed
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 US claimed
WO-2003092678-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-13 WO claimed
EP-1795192-A2 1-Substituted imidazole derivatives as nos inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-13 EP disclosed
US-7202263-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-10 US disclosed
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP disclosed
US-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-6982259-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-01-03 US disclosed
EP-1501504-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
WO-2003092678-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-13 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 (2 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-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885MCHR1 1349/4885HRH3 1360/4885
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885MCHR1 1734/4885HRH3 1933/4885

“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.