SCHEMBL4326850

SCHEMBL4326850

COc1ccc(Cc2ccc(CN)cc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
PDE4D Q08499 2/20 0.45
PDE4B Q07343 5/20 0.43
MAOB P27338 4/20 0.38
PNMT P11086 1/20 0.38
SNCA P37840 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK10 P53779 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
SCHEMBL3791461 0.92 PDE4D (0.44) TAAR1PDE4DPDE4BMAOBSNCA
SCHEMBL8028035 0.90 TAAR1 (0.43) TAAR1PDE4DPDE4BNPC1MAPT
SCHEMBL3467080 0.89 PDE4B (0.42) TAAR1PDE4DPDE4BSNCANPC1
SCHEMBL7911734 0.89 PDE4D (0.44) PDE4DPDE4BSNCAMAPT
SCHEMBL4326854 0.88 PDE4D (0.48) PDE4DPDE4BSNCANPC1MAPT
SCHEMBL4326556 0.87 PDE4B (0.41) TAAR1PDE4DPDE4BSNCANPC1
SCHEMBL3468023 0.87 PDE4B (0.42) TAAR1PDE4DPDE4BMAPK10
SCHEMBL8057832 0.86 PDE4D (0.49) PDE4DPDE4BSNCAMAPT
SCHEMBL4316376 0.86 PDE4B (0.45) TAAR1PDE4DPDE4BNPC1MAPT
SCHEMBL7918176 0.85 PDE4D (0.48) PDE4DPDE4BSNCASMN1; SMN2

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
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
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US 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 TAAR1 1324/4885PDE4D 7/4885PDE4B 2/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B TAAR1 1324/4885PDE4D 7/4885PDE4B 2/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B TAAR1 1324/4885PDE4D 7/4885PDE4B 2/4885

“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.