SCHEMBL3466737

SCHEMBL3466737

COc1ccc(Cc2ccc(N3CCC[C@@H]3C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
NTRK2 Q16620 1/20 0.39
GRM5 P41594 2/20 0.39
CD274 Q9NZQ7 7/20 0.39
PDCD1 Q15116 4/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SLC6A9 P48067 6/20 0.38
FFAR1 O14842 1/20 0.38
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36

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
SCHEMBL3466926 1.00 ITGB2 (0.40) ITGB2ICAM1ITGALNTRK1CSF1R
SCHEMBL3466742 1.00 ITGB2 (0.40) ITGB2ICAM1ITGALNTRK1CSF1R
SCHEMBL3466246 0.95 GRM5 (0.37) ITGB2ICAM1ITGALNTRK1CSF1R
SCHEMBL3466221 0.95 GRM5 (0.37) ITGB2ICAM1ITGALNTRK1CSF1R
SCHEMBL3792867 0.95 GRM5 (0.37) ITGB2ICAM1ITGALNTRK1CSF1R
SCHEMBL3466119 0.93 GRM5 (0.39) GRM5CD274PDCD1HCRTR1HCRTR2
SCHEMBL3796904 0.93 FPR2 (0.40) GRM5CD274HCRTR1HCRTR2FFAR1
SCHEMBL3466121 0.93 GRM5 (0.39) GRM5CD274PDCD1HCRTR1HCRTR2
SCHEMBL3796897 0.93 FPR2 (0.40) GRM5CD274HCRTR1HCRTR2FFAR1
SCHEMBL3466350 0.91 GRM5 (0.40) ITGB2ICAM1ITGALNTRK1CSF1R

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 5 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
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
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 ITGB2 3664/4885ICAM1 1105/4885ITGAL 3947/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B ITGB2 3664/4885ICAM1 1105/4885ITGAL 3947/4885

“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.