SCHEMBL974512

SCHEMBL974512

CCOC(=O)c1nn(-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
SCHEMBL5484151 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
EP-1874779-A1 ACYLAMINOBICYCLIC HETEROMATIC COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2008-01-09 EP disclosed
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl BRANDT THOMAS A 2007-11-08 US disclosed
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl BRANDT THOMAS A 2007-11-08 US disclosed
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl BRANDT THOMAS A 2007-11-08 US disclosed
CN-101027285-A Process for preparing bicyclic pyrazolyl compounds PFIZER PROD INC (US) 2007-08-29 CN disclosed
EP-1797041-A2 PROCESS FOR PREPARING BICYCLIC PYRAZOLYL COMPOUNDS Pfizer Products Inc. (US) 2007-06-20 EP disclosed
WO-2007060525-A2 PROCESS FOR PREPARING BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-05-31 WO 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
US-20060241100-A1 Acylaminobicyclic heteroaromatic compounds and uses thereof PFIZER INC 2006-10-26 US disclosed
WO-2006111849-A1 ACYLAMINOBICYCLIC HETEROMATIC COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2006-10-26 WO disclosed
EP-1682554-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF Pfizer Products Incorporated (US) 2006-07-26 EP disclosed
WO-2006035310-A2 PROCESS FOR PREPARING BICYCLIC PYRAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-04-06 WO 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 (5 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-20060241100-A1 Acylaminobicyclic heteroaromatic compounds and uses thereof CNR2, CNR1, GPR18 PDE4B 2817/4885CYP19A1 394/4885CNR1 2/4885
US-20070027133-A1 BICYCLIC PYRAZOLYL AND IMIDAZOLYL COMPOUNDS AND USES THEREOF CNR2, CNR1, GPR18 PDE4B 1438/4885CYP19A1 1349/4885CNR1 2/4885
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 PDE4B 1102/4885CYP19A1 854/4885CNR1 1/4885
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof CNR2, CNR1, GPR18 PDE4B 1438/4885CYP19A1 1349/4885CNR1 2/4885
US-20070260056-A1 Process for Preparing Bicyclic Pyrazolyl CNR1, CNR2, GPR18 PDE4B 2107/4885CYP19A1 398/4885CNR1 1/4885

“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.