SCHEMBL3466965

SCHEMBL3466965

COc1ccc(Cc2ccc(CNC(=O)OC(C)(C)C)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
TRPV1 Q8NER1 3/20 0.38
PDE4D Q08499 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE4B Q07343 4/20 0.36
HTR1A P08908 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CTSA P10619 1/20 0.35
DYRK1A Q13627 1/20 0.35
EPAS1 Q99814 1/20 0.35
WDR5 P61964 1/20 0.35

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
SCHEMBL3786678 0.89 DYRK3 (0.40) HCRTR1HCRTR2PDE4DPDE4BHTR1A
SCHEMBL3791157 0.88 PDE4D (0.45) HCRTR1HCRTR2PDE4DPDE4BHTR1A
SCHEMBL7916577 0.88 PDE4D (0.41) HCRTR1HCRTR2TRPV1PDE4DPDE4B
SCHEMBL3795699 0.88 HCRTR1 (0.38) HCRTR1HCRTR2PDE4DPDE4BHTR1A
SCHEMBL3790943 0.88 FAAH (0.40) HCRTR1HCRTR2PDE4DCTSA
Hydrochloric Acid SCHEMBL3790284 0.88 PDE4D (0.41) HCRTR1HCRTR2TRPV1PDE4DPDE4B
SCHEMBL3466339 0.87 HCRTR1 (0.39) HCRTR1HCRTR2TRPV1PDE4DPDE4B
SCHEMBL3792183 0.87 PDE4D (0.42) HCRTR1HCRTR2PDE4DPDE4BHTR1A
SCHEMBL8065009 0.87 HCRTR1 (0.39) HCRTR1HCRTR2PDE4DPDE4BHTR1A
Hydrochloric Acid SCHEMBL4325701 0.86 HCRTR1 (0.39) HCRTR1HCRTR2PDE4DPDE4BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B HCRTR1 3931/4885HCRTR2 3796/4885TRPV1 3394/4885
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HCRTR1 2509/4885HCRTR2 2341/4885TRPV1 2251/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HCRTR1 2509/4885HCRTR2 2341/4885TRPV1 2251/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B HCRTR1 3931/4885HCRTR2 3796/4885TRPV1 3394/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HCRTR1 2509/4885HCRTR2 2341/4885TRPV1 2251/4885

“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.