SCHEMBL1353078

SCHEMBL1353078

CCN(C(=O)c1ccc(C(=O)CBr)c(F)c1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
TSHR P16473 1/20 0.47
BRD4 O60885 1/20 0.46
ADORA2A P29274 3/20 0.46
PDK2 Q15119 1/20 0.43
AGER Q15109 2/20 0.43
MTNR1A P48039 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A9 P48067 2/20 0.41
SLC6A5 Q9Y345 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITK Q08881 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 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
SCHEMBL1355140 0.88 HSD11B1 (0.50) HSD11B1TSHRBRD4ADORA2AMEN1
SCHEMBL1354697 0.87 HSD11B1 (0.54) HSD11B1TSHRBRD4ADORA2APDK2
SCHEMBL1355477 0.86 TSHR (0.53) HSD11B1TSHRBRD4ADORA2AAGER
SCHEMBL1354663 0.84 TSHR (0.59) HSD11B1TSHRBRD4ADORA2AMEN1
SCHEMBL1353254 0.83 HSD11B1 (0.55) HSD11B1TSHRBRD4ADORA2AAGER
SCHEMBL1356197 0.82 HSD11B1 (0.60) HSD11B1TSHRBRD4ADORA2AAGER
SCHEMBL1355447 0.82 KMT2A (0.47) HSD11B1TSHRBRD4ADORA2AMEN1
SCHEMBL1353256 0.81 ADORA2A (0.55) HSD11B1TSHRBRD4ADORA2AAGER
SCHEMBL10722280 0.78 HSD11B1 (0.70) HSD11B1TSHRBRD4ADORA2AAGER
SCHEMBL1354645 0.77 HSD11B1 (0.53) HSD11B1TSHRBRD4ADORA2AMEN1

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 HSD11B1 2224/4885TSHR 650/4885BRD4 3621/4885

“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.