SCHEMBL4532209

SCHEMBL4532209

CCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ATM Q13315 3/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.42
CYP2C19 P33261 1/20 0.42
MDM2 Q00987 1/20 0.41
GLA P06280 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3468005 0.91 CD274 (0.42) KMT2AMEN1ATMALDH1A1
SCHEMBL4533382 0.89 CD274 (0.41) KMT2AMEN1RAB9AATMALDH1A1
SCHEMBL4537142 0.88 CD274 (0.43) KMT2AMEN1RAB9AATMALDH1A1
SCHEMBL3477920 0.80 PDE4D (0.41)
SCHEMBL3791604 0.80 HCRTR1 (0.35) ALDH1A1
SCHEMBL3465800 0.79 PDE4D (0.42)
SCHEMBL3791661 0.79 PDE4D (0.44)
SCHEMBL3791280 0.78 PDE4D (0.39)
SCHEMBL3466183 0.77 CD274 (0.39) ALDH1A1CYP2C19KDM4ETSHR
SCHEMBL7913243 0.77 CNR2 (0.41)

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 8 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
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 KMT2A 1930/4885MEN1 3928/4885RAB9A 1358/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B KMT2A 1930/4885MEN1 3928/4885RAB9A 1358/4885

“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.