SCHEMBL1354577

SCHEMBL1354577

CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(Cl)cn23)cc1)C1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.79
ABCB11 O95342 1/20 0.47
HSD11B1 P28845 1/20 0.44
AGER Q15109 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
BRD4 O60885 1/20 0.41
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CCR5 P51681 1/20 0.39

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
SCHEMBL1354774 0.89 ADORA2A (0.80) ADORA2AHSD11B1NPC1RAB9ATSHR
SCHEMBL1354799 0.88 ADORA2A (1.00) ADORA2AHSD11B1RAB9ABRD4SLC6A9
SCHEMBL1356356 0.88 ADORA2A (0.79) ADORA2AHSD11B1AGERBRD4CCR5
SCHEMBL1354717 0.87 ADORA2A (0.76) ADORA2AHSD11B1SLC6A9SLC6A5
SCHEMBL1354667 0.86 ADORA2A (0.75) ADORA2AHSD11B1BRD4
SCHEMBL12133052 0.86 ADORA2A (1.00) ADORA2AABCB11HSD11B1RAB9ABRD4
SCHEMBL1353249 0.85 ADORA2A (0.66) ADORA2AHSD11B1AGERNPC1RAB9A
SCHEMBL1355643 0.82 ADORA2A (1.00) ADORA2AHSD11B1AGERNPC1RAB9A
SCHEMBL1356252 0.80 ADORA2A (0.67) ADORA2AHSD11B1NPC1RAB9ABRD4
SCHEMBL1355322 0.80 ADORA2A (0.87) ADORA2AHSD11B1AGERTSHRBRD4

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 11 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

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 1/4885ABCB11 1479/4885HSD11B1 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.