SCHEMBL1353249

SCHEMBL1353249

CCN(C(=O)c1ccc(C(=O)c2cnc3cc(Cl)ccn23)cc1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.66
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
TSHR P16473 1/20 0.45
HSD11B1 P28845 3/20 0.44
ATM Q13315 1/20 0.42
USP30 Q70CQ3 1/20 0.42
AGER Q15109 1/20 0.41
BRD4 O60885 1/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL1356252 0.89 ADORA2A (0.67) ADORA2ARAB9ANPC1HSD11B1ATM
SCHEMBL1355202 0.89 ADORA2A (0.66) ADORA2ARAB9ANPC1HSD11B1ATM
SCHEMBL1355104 0.89 ADORA2A (0.66) ADORA2ARAB9ANPC1HSD11B1ATM
SCHEMBL1355363 0.86 ADORA2A (0.63) ADORA2ARAB9ANPC1HSD11B1ATM
SCHEMBL12133046 0.86 ADORA2A (0.76) ADORA2ARAB9ANPC1TSHRHSD11B1
SCHEMBL1354577 0.85 ADORA2A (0.79) ADORA2ARAB9ANPC1TSHRHSD11B1
SCHEMBL1354774 0.80 ADORA2A (0.80) ADORA2ARAB9ANPC1TSHRHSD11B1
SCHEMBL1355643 0.80 ADORA2A (1.00) ADORA2ARAB9ANPC1TSHRHSD11B1
SCHEMBL1356356 0.80 ADORA2A (0.79) ADORA2AHSD11B1AGERBRD4
SCHEMBL1354799 0.80 ADORA2A (1.00) ADORA2ARAB9AHSD11B1ATMBRD4

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 13 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

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 1/4885RAB9A 1899/4885NPC1 1152/4885

“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.