SCHEMBL1353256

SCHEMBL1353256

CCN(C(=O)c1ccc(C(=O)CBr)cc1Cl)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.55
TSHR P16473 2/20 0.53
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
AGER Q15109 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
F2 P00734 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL1355477 0.93 TSHR (0.53) ADORA2ATSHRHSD11B1ALDH1A1KDM4E
SCHEMBL1355140 0.83 HSD11B1 (0.50) ADORA2ATSHRHSD11B1ALDH1A1KDM4E
SCHEMBL1355111 0.83 TSHR (0.57) ADORA2ATSHRHSD11B1ALDH1A1KDM4E
SCHEMBL1356197 0.82 HSD11B1 (0.60) ADORA2ATSHRHSD11B1KDM4EAGER
SCHEMBL1355162 0.82 TSHR (0.53) ADORA2ATSHRHSD11B1ALDH1A1KDM4E
SCHEMBL1353078 0.81 HSD11B1 (0.51) ADORA2ATSHRHSD11B1AGERMEN1
SCHEMBL1354663 0.80 TSHR (0.59) ADORA2ATSHRHSD11B1ALDH1A1KDM4E
SCHEMBL28148662 0.79 HSD11B1 (0.55) ADORA2ATSHRHSD11B1ALDH1A1AGER
SCHEMBL1355474 0.78 HSD11B1 (0.52) ADORA2ATSHRHSD11B1AGERMEN1
SCHEMBL1355447 0.78 KMT2A (0.47) ADORA2ATSHRHSD11B1ALDH1A1MEN1

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 6 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 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
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 1/4885TSHR 650/4885HSD11B1 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.