SCHEMBL3790262

SCHEMBL3790262

CCNC(=O)N1CCC[C@@H]1COc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
GRM5 P41594 2/20 0.39
TNF P01375 1/20 0.39
LITAF Q99732 1/20 0.39
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ACHE P22303 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PTGES O14684 2/20 0.35
PPARG P37231 1/20 0.35
ADAM17 P78536 1/20 0.35
CHRM3 P20309 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3790898 0.88 ALOX5AP (0.41) HCRTR1HCRTR2GRM5TNFLITAF
SCHEMBL4328069 0.88 ALOX5AP (0.41) HCRTR1HCRTR2GRM5TNFLITAF
SCHEMBL8065505 0.81 CXCR3 (0.42) TNFLITAFCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3795473 0.80 CXCR3 (0.41) TNFLITAFCYP1A2CYP2C9CYP2C19
SCHEMBL4330807 0.79 CHRNB4 (0.40)
SCHEMBL3795703 0.79 CHRNB4 (0.40)
SCHEMBL7914640 0.77 KDR (0.45) HCRTR1HCRTR2CYP2C9
SCHEMBL3796897 0.76 FPR2 (0.40) HCRTR1HCRTR2GRM5ITGB1ITGA4
SCHEMBL3466121 0.76 GRM5 (0.39) HCRTR1HCRTR2GRM5ITGB1ITGA4
SCHEMBL3466119 0.76 GRM5 (0.39) HCRTR1HCRTR2GRM5ITGB1ITGA4

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 12 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-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
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-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
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US 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 HCRTR1 2509/4885HCRTR2 2341/4885GRM5 771/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HCRTR1 2509/4885HCRTR2 2341/4885GRM5 771/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HCRTR1 2509/4885HCRTR2 2341/4885GRM5 771/4885

“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.