SCHEMBL4693433

SCHEMBL4693433

CCOC(=O)c1nn(-c2ccccc2Cl)c(Br)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.55
PDE4A P27815 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.42
ELANE P08246 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5368660 0.88 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7613 0.83 ALDH1A1 (0.57) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4186644 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4694446 0.79 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5343931 0.78 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2677617 0.77 NPSR1 (0.60) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL20477246 0.77 CYP19A1 (0.54) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6123645 0.76 ALDH1A1 (0.57) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4689130 0.76 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4634312 0.76 CNR1 (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874779-A1 ACYLAMINOBICYCLIC HETEROMATIC COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2008-01-09 EP disclosed
US-7241788-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-07-10 US disclosed
US-7241788-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-07-10 US disclosed
US-7241788-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-07-10 US disclosed
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US disclosed
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US disclosed
US-7230024-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2007-06-12 US disclosed
US-7145012-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2006-12-05 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
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
US-20060205720-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2006-09-14 US disclosed
EP-1622909-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004094429-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 WO disclosed
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 US disclosed
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-10-28 US disclosed
US-20040214855-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 (4 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-20060205720-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 PDE4B 2135/4885PDE4A 2162/4885PDE4C 2704/4885
US-20060241100-A1 Acylaminobicyclic heteroaromatic compounds and uses thereof CNR2, CNR1, GPR18 PDE4B 2817/4885PDE4A 3284/4885PDE4C 3342/4885
US-20060205948-A1 Cannabinoid receptor ligands and uses thereof CNR2, CNR1, GPR18 PDE4B 2135/4885PDE4A 2162/4885PDE4C 2704/4885
US-20040214855-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 PDE4B 2322/4885PDE4A 2257/4885PDE4C 2855/4885

“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.