SCHEMBL3796904

SCHEMBL3796904

COc1ccc(Cc2ccc(N3CCCC3C(N)=O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.40
SCN9A Q15858 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GRM5 P41594 2/20 0.39
EGFR P00533 6/20 0.39
CD274 Q9NZQ7 1/20 0.37
PDE4D Q08499 1/20 0.37
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
ITGB1 P05556 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3796897 1.00 FPR2 (0.40) FPR2SCN9AHCRTR1HCRTR2GRM5
SCHEMBL4322265 0.95 EGFR (0.39) FPR2SCN9AHCRTR1HCRTR2GRM5
SCHEMBL3794589 0.95 EGFR (0.39) FPR2SCN9AHCRTR1HCRTR2GRM5
SCHEMBL4322766 0.95 EGFR (0.39) FPR2SCN9AHCRTR1HCRTR2GRM5
Hydrochloric Acid SCHEMBL3790309 0.95 EGFR (0.38) FPR2SCN9AHCRTR1HCRTR2GRM5
Hydrochloric Acid SCHEMBL4328402 0.95 EGFR (0.38) FPR2SCN9AHCRTR1HCRTR2GRM5
Hydrochloric Acid SCHEMBL3790312 0.95 EGFR (0.38) FPR2SCN9AHCRTR1HCRTR2GRM5
SCHEMBL3466742 0.93 ITGB2 (0.40) HCRTR1HCRTR2GRM5CD274ITGA4
SCHEMBL3466926 0.93 ITGB2 (0.40) HCRTR1HCRTR2GRM5CD274ITGA4
SCHEMBL3466737 0.93 ITGB2 (0.40) HCRTR1HCRTR2GRM5CD274ITGA4

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 FPR2 2013/4885SCN9A 3127/4885HCRTR1 2509/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FPR2 2013/4885SCN9A 3127/4885HCRTR1 2509/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B FPR2 2013/4885SCN9A 3127/4885HCRTR1 2509/4885

“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.