SCHEMBL1355322

SCHEMBL1355322

CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(F)cn23)c(Cl)c1)C1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.87
BRD4 O60885 1/20 0.40
HSD11B1 P28845 1/20 0.39
AGER Q15109 2/20 0.39
MTNR1A P48039 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A9 P48067 3/20 0.37
SLC6A5 Q9Y345 2/20 0.37
ATM Q13315 1/20 0.37
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 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
SCHEMBL1355564 0.93 ADORA2A (1.00) ADORA2ABRD4HSD11B1AGERMTNR1A
SCHEMBL1356254 0.91 ADORA2A (0.76) ADORA2ABRD4HSD11B1AGERMTNR1A
SCHEMBL1355370 0.91 ADORA2A (0.76) ADORA2ABRD4HSD11B1AGERMTNR1A
SCHEMBL1355493 0.90 ADORA2A (0.73) ADORA2ABRD4HSD11B1AGERMTNR1A
SCHEMBL1356356 0.88 ADORA2A (0.79) ADORA2ABRD4HSD11B1AGERMTNR1A
SCHEMBL1356260 0.87 ADORA2A (0.69) ADORA2ABRD4HSD11B1AGERMTNR1A
SCHEMBL8453216 0.86 ADORA2A (0.71) ADORA2ABRD4HSD11B1AGERMTNR1A
SCHEMBL1355150 0.86 ADORA2A (0.72) ADORA2ABRD4HSD11B1AGERTSHR
SCHEMBL1354577 0.80 ADORA2A (0.79) ADORA2ABRD4HSD11B1AGERTSHR
SCHEMBL27978954 0.79 ADORA2A (0.76) ADORA2AAGERTSHRALDH1A1ATM

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-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US claimed
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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 (1 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885BRD4 3621/4885HSD11B1 2224/4885

“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.