SCHEMBL3466229

SCHEMBL3466229

COc1ccc(Cc2cnc(N3CCC3C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
CTSA P10619 5/20 0.37
PDE4B Q07343 1/20 0.35
CD274 Q9NZQ7 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK2 Q16620 1/20 0.35
SLC6A9 P48067 4/20 0.35
PDCD1 Q15116 1/20 0.35
FFAR2 O15552 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC6A7 Q99884 1/20 0.34

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
SCHEMBL7913230 0.95 GRM5 (0.40) GRM5CD274HCRTR1HCRTR2NTRK1
SCHEMBL3466350 0.95 GRM5 (0.40) GRM5CD274HCRTR1HCRTR2NTRK1
SCHEMBL3465879 0.94 CD274 (0.40) GRM5CD274NTRK1CSF1RNTRK2
SCHEMBL7917999 0.91 CD274 (0.37) CTSACD274HCRTR1HCRTR2NTRK1
SCHEMBL3466221 0.90 GRM5 (0.37) GRM5CTSAPDE4BCD274HCRTR1
SCHEMBL3466246 0.90 GRM5 (0.37) GRM5CTSAPDE4BCD274HCRTR1
SCHEMBL3792867 0.90 GRM5 (0.37) GRM5CTSAPDE4BCD274HCRTR1
SCHEMBL15195899 0.88 SLC6A7 (0.36) GRM5PDE4BCD274NTRK1SLC6A9
SCHEMBL3466926 0.86 ITGB2 (0.40) GRM5CD274HCRTR1HCRTR2NTRK1
SCHEMBL3466742 0.86 ITGB2 (0.40) GRM5CD274HCRTR1HCRTR2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US 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 (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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B GRM5 2332/4885CTSA 4056/4885PDE4B 2/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B GRM5 2332/4885CTSA 4056/4885PDE4B 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.