SCHEMBL4816797

SCHEMBL4816797

CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.53
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP19A1 P11511 1/20 0.51
CNR1 P21554 10/20 0.50
CNR2 P34972 2/20 0.50
NPSR1 Q6W5P4 1/20 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
SCHEMBL17163901 0.89 CNR2 (0.62) KDM4ECNR1CNR2
SCHEMBL700719 0.89 CNR1 (0.58) PDE4BCYP19A1CNR1CNR2
SCHEMBL4822288 0.89 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL974512 0.88 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5484151 0.88 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4695480 0.87 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL970650 0.86 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4184217 0.86 CNR1 (0.53) PDE4BPDE4APDE4CPDE4DCYP19A1
SCHEMBL4186644 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4689858 0.85 CNR1 (0.52) PDE4BPDE4APDE4CPDE4DCYP19A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354929-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2008-04-08 US disclosed
US-7354929-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2008-04-08 US disclosed
US-7354929-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2008-04-08 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-20070105856-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER INC 2007-05-10 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
WO-2004096801-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
WO-2004094417-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 WO disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
US-20040214838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 US disclosed
US-20040214838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 US disclosed
US-20040214838-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 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-20070105856-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 PDE4B 2281/4885PDE4A 2206/4885PDE4C 2754/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 PDE4B 2474/4885PDE4A 2332/4885PDE4C 2930/4885
US-20040214838-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 PDE4B 2474/4885PDE4A 2332/4885PDE4C 2930/4885
US-20050101592-A1 Bicyclic pyrazolyl and imidazolyl compounds and uses thereof CNR2, CNR1, GPR18 PDE4B 1438/4885PDE4A 1516/4885PDE4C 1911/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 PDE4B 2281/4885PDE4A 2206/4885PDE4C 2754/4885

“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.