SCHEMBL3469413

SCHEMBL3469413

COc1ccc(Cc2ccc(N3CCCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
ALK Q9UM73 4/20 0.41
IGF1R P08069 3/20 0.41
CDK9 P50750 1/20 0.40
DGAT2 Q96PD7 3/20 0.40
CD274 Q9NZQ7 4/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL3796449 0.86 CACNA1H (0.41) CACNA1H
SCHEMBL3786675 0.86 CNR2 (0.41) CACNA1H
SCHEMBL3466926 0.86 ITGB2 (0.40) GRM5ITGB2ICAM1ITGALCD274
SCHEMBL3466737 0.86 ITGB2 (0.40) GRM5ITGB2ICAM1ITGALCD274
SCHEMBL3466742 0.86 ITGB2 (0.40) GRM5ITGB2ICAM1ITGALCD274
SCHEMBL3466918 0.86 NOTUM (0.43) GRM5CD274S1PR1S1PR5NOTUM
SCHEMBL4325189 0.86 MELK (0.38) GRM5ITGB2ICAM1ITGAL
SCHEMBL3466246 0.85 GRM5 (0.37) GRM5ITGB2ICAM1ITGALCD274
SCHEMBL3792867 0.85 GRM5 (0.37) GRM5ITGB2ICAM1ITGALCD274
SCHEMBL3466221 0.85 GRM5 (0.37) GRM5ITGB2ICAM1ITGALCD274

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 GRM5 2332/4885ITGB2 3664/4885ICAM1 1105/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B GRM5 2332/4885ITGB2 3664/4885ICAM1 1105/4885

“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.