SCHEMBL5459470

SCHEMBL5459470

CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OCC=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.47
CNR1 P21554 13/20 0.47
CYP19A1 P11511 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR2 P34972 2/20 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
SCHEMBL5463050 0.91 PDE4B (0.47) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL970650 0.87 PDE4B (0.52) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL973340 0.86 CNR1 (0.55) CNR1
SCHEMBL5339252 0.84 CNR1 (0.51) PDE4BCNR1CYP19A1CNR2
SCHEMBL4186644 0.84 PDE4B (0.51) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL700719 0.84 CNR1 (0.58) PDE4BCNR1CYP19A1CNR2
SCHEMBL5461537 0.83 CNR1 (0.46) PDE4BCNR1
SCHEMBL5484151 0.83 PDE4B (0.54) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL974512 0.83 PDE4B (0.54) PDE4BCNR1CYP19A1PDE4APDE4C
SCHEMBL4689130 0.82 PDE4B (0.51) PDE4BCNR1CYP19A1PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER INC 2007-02-01 US disclosed
US-7151097-B2 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. (US) 2006-12-19 US disclosed
EP-1682554-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF Pfizer Products Incorporated (US) 2006-07-26 EP disclosed
WO-2005044822-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-05-19 WO disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 US disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 US disclosed
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof PFIZER INC. 2005-05-12 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 (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-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF CNR2, CNR1, GPR18 PDE4B 1438/4885CNR1 2/4885CYP19A1 1349/4885
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof CNR2, CNR1, GPR18 PDE4B 1438/4885CNR1 2/4885CYP19A1 1349/4885

“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.