SCHEMBL3466400

SCHEMBL3466400

COc1ccc(Cc2ccc(N3CCCC3C(=O)O)nc2)cc1-c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.50
PDE4B Q07343 2/20 0.45
GRM5 P41594 2/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SLC6A9 P48067 2/20 0.40
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
NTRK2 Q16620 1/20 0.40
CD274 Q9NZQ7 7/20 0.39
PDCD1 Q15116 2/20 0.39
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.38
FFAR2 O15552 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL3466397 1.00 PDE4D (0.50) PDE4DPDE4BGRM5ITGB2ICAM1
SCHEMBL8027521 0.95 PDE4D (0.52) PDE4DPDE4BGRM5HCRTR1HCRTR2
Acetic Acid SCHEMBL3466976 0.93 PDE4D (0.50) PDE4DPDE4BGRM5HCRTR1HCRTR2
SCHEMBL3466979 0.85 PDE4D (0.49) PDE4DPDE4BGRM5HCRTR1HCRTR2
SCHEMBL3466926 0.85 ITGB2 (0.40) GRM5ITGB2ICAM1ITGALHCRTR1
SCHEMBL3466737 0.85 ITGB2 (0.40) GRM5ITGB2ICAM1ITGALHCRTR1
SCHEMBL3466742 0.85 ITGB2 (0.40) GRM5ITGB2ICAM1ITGALHCRTR1
SCHEMBL4330740 0.81 PDE4B (0.53) PDE4DPDE4B
SCHEMBL3466221 0.80 GRM5 (0.37) PDE4DPDE4BGRM5ITGB2ICAM1
SCHEMBL3466246 0.80 GRM5 (0.37) PDE4DPDE4BGRM5ITGB2ICAM1

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 PDE4D 7/4885PDE4B 2/4885GRM5 2332/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885GRM5 2332/4885

“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.