SCHEMBL3789206

SCHEMBL3789206

COc1ccc(Cc2ccc(N3[C@@H](C)CC[C@@H]3C)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
PDE4B Q07343 5/20 0.38
MAPK10 P53779 3/20 0.36
MAPK9 P45984 1/20 0.35
MAPK14 Q16539 1/20 0.35
PDE4D Q08499 4/20 0.35
GRM5 P41594 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
FYN P06241 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3786675 0.85 CNR2 (0.41) CNR2PDE4BPDE4DRAB9ASMN1; SMN2
SCHEMBL3796449 0.85 CACNA1H (0.41) CNR2PDE4BRAB9ASMN1; SMN2
SCHEMBL3788894 0.85 TRPV1 (0.39) CNR2PDE4BPDE4DGRM5PDE10A
SCHEMBL7911285 0.84 PDE4B (0.37) CNR2PDE4BMAPK10PDE4DGRM5
SCHEMBL4325189 0.84 MELK (0.38) CNR2PDE4BGRM5RAB9ASMN1; SMN2
SCHEMBL3795599 0.83 HTR1A (0.42) CNR2PDE4BHTR2AHTR2CHTR2B
SCHEMBL3792586 0.83 TDO2 (0.37) PDE4BPDE4DHCRTR1HCRTR2HTR2A
SCHEMBL3467239 0.83 PDE4B (0.41) PDE4BMAPK10PDE4DHCRTR1HCRTR2
SCHEMBL13578424 0.82 GRM5 (0.37) PDE4BPDE4DGRM5HCRTR1HCRTR2
SCHEMBL3466221 0.82 GRM5 (0.37) PDE4BPDE4DGRM5HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 EP disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
EP-2222638-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION 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 (3 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CNR2 538/4885PDE4B 2/4885MAPK10 1636/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CNR2 538/4885PDE4B 2/4885MAPK10 1636/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B CNR2 538/4885PDE4B 2/4885MAPK10 1636/4885

“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.