SCHEMBL5484151

SCHEMBL5484151

CCOC(=O)[13c]1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.54
CYP19A1 P11511 1/20 0.52
CNR1 P21554 10/20 0.50
PDE4A P27815 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 3/20 0.48

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
SCHEMBL974512 1.00 PDE4B (0.54) PDE4BCYP19A1CNR1PDE4APDE4C
SCHEMBL4695480 0.90 PDE4B (0.53) PDE4BCYP19A1CNR1PDE4APDE4C
SCHEMBL700719 0.90 CNR1 (0.58) PDE4BCYP19A1CNR1CNR2
SCHEMBL972368 0.89 CNR1 (0.62) CNR1CNR2
SCHEMBL972697 0.89 PDE4B (0.49) PDE4BCYP19A1CNR1PDE4APDE4C
SCHEMBL4816797 0.88 PDE4B (0.53) PDE4BCYP19A1CNR1PDE4APDE4C
SCHEMBL970650 0.87 PDE4B (0.52) PDE4BCYP19A1CNR1PDE4APDE4C
SCHEMBL4184217 0.87 CNR1 (0.53) PDE4BCYP19A1CNR1PDE4APDE4C
SCHEMBL4186644 0.86 PDE4B (0.51) PDE4BCYP19A1CNR1PDE4APDE4C
SCHEMBL4689130 0.86 PDE4B (0.51) PDE4BCYP19A1CNR1PDE4APDE4C

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 5 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-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

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 1438/4885CYP19A1 1349/4885CNR1 2/4885
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof CNR2, CNR1, GPR18 PDE4B 1438/4885CYP19A1 1349/4885CNR1 2/4885

“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.