SCHEMBL5205627

SCHEMBL5205627

c1cn(-c2ccc(OCC3CCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.75
HRH3 Q9Y5N1 1/20 0.49
PDE2A O00408 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MCHR1 Q99705 2/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5201861 0.86 NOS2 (1.00) NOS2HRH3PDE2AKDM4EALDH1A1
SCHEMBL5202294 0.86 NOS2 (1.00) NOS2HRH3PDE2AKDM4EALDH1A1
SCHEMBL5201831 0.86 NOS2 (1.00) NOS2HRH3PDE2AKDM4EALDH1A1
SCHEMBL5201896 0.84 NOS2 (1.00) NOS2
SCHEMBL5206219 0.83 NOS2 (0.95) NOS2HRH3KDM4EALDH1A1MCHR1
SCHEMBL5203057 0.82 NOS2 (0.90) NOS2MCHR1
SCHEMBL5203041 0.82 NOS2 (0.90) NOS2MCHR1
SCHEMBL5203317 0.82 NOS2 (0.90) NOS2MCHR1
SCHEMBL5202553 0.81 NOS2 (1.00) NOS2
SCHEMBL5205292 0.81 NOS2 (1.00) NOS2PDE2AKDM4EMCHR1

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 13 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
US-6982259-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-01-03 US 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 2/4885HRH3 1360/4885PDE2A 51/4885
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885HRH3 1933/4885PDE2A 64/4885

“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.