SCHEMBL1355564

SCHEMBL1355564

CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(F)cn23)cc1Cl)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
HSD11B1 P28845 1/20 0.38
AGER Q15109 2/20 0.37
MTNR1A P48039 1/20 0.37
ATM Q13315 1/20 0.37
BRD4 O60885 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
ABCB11 O95342 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
SCHEMBL1355322 0.93 ADORA2A (0.87) ADORA2ATSHRALDH1A1SLC6A9SLC6A5
SCHEMBL1356356 0.88 ADORA2A (0.79) ADORA2AHSD11B1AGERMTNR1ABRD4
SCHEMBL1356254 0.86 ADORA2A (0.76) ADORA2ASLC6A9SLC6A5HSD11B1AGER
SCHEMBL1355370 0.86 ADORA2A (0.76) ADORA2ASLC6A9SLC6A5HSD11B1AGER
SCHEMBL27978954 0.86 ADORA2A (0.76) ADORA2ATSHRALDH1A1AGERATM
SCHEMBL1355493 0.85 ADORA2A (0.73) ADORA2AALDH1A1SLC6A9SLC6A5HSD11B1
SCHEMBL8453216 0.83 ADORA2A (0.71) ADORA2ASLC6A9SLC6A5HSD11B1AGER
SCHEMBL1356260 0.82 ADORA2A (0.69) ADORA2AALDH1A1SLC6A9SLC6A5HSD11B1
SCHEMBL1354577 0.80 ADORA2A (0.79) ADORA2ATSHRSLC6A9SLC6A5HSD11B1
SCHEMBL1355150 0.79 ADORA2A (0.72) ADORA2ATSHRHSD11B1AGERATM

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 14 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
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 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
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 1/4885TSHR 650/4885ALDH1A1 637/4885

“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.