SCHEMBL3786457

SCHEMBL3786457

COc1ccc(N)cc1-c1cccc(CC=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.45
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
ALOX5 P09917 1/20 0.43
CNR2 P34972 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PDE4D Q08499 1/20 0.40
ERN1 O75460 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL3791739 0.86 ADRB2 (0.42) HTR7GABRA1GABRB2ALOX5CNR2
Hydrochloric Acid SCHEMBL3794606 0.85 ADRB2 (0.42) HTR7GABRA1GABRB2ALOX5CNR2
SCHEMBL3842075 0.84 PDE4D (0.48) HTR7PTGDR2HDAC4HDAC2HDAC8
Hydrochloric Acid SCHEMBL3843716 0.83 PDE4D (0.47) HTR7PTGDR2HDAC4HDAC2HDAC8
SCHEMBL19920167 0.82 HTR7 (0.64) HTR7ERN1DRD2DRD4DRD3
SCHEMBL3838511 0.81 HTR7 (0.70) HTR7
SCHEMBL3789262 0.80 FYN (0.51) PTGDR2HDAC4HDAC2HDAC8GAA
SCHEMBL3794909 0.78 PDE4D (0.48) HTR7GABRA1GABRB2ALOX5CNR2
SCHEMBL3842196 0.77 CASR (0.52) HTR7FFAR1
SCHEMBL6259929 0.76 CYP3A4 (0.56) HDAC4HDAC2HDAC8MAPTCYP19A1

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 HTR7 2310/4885GABRA1 1717/4885GABRB2 1499/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HTR7 2310/4885GABRA1 1717/4885GABRB2 1499/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HTR7 2310/4885GABRA1 1717/4885GABRB2 1499/4885

“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.