SCHEMBL4176173

SCHEMBL4176173

CCCn1c(=O)c2c(nc(Cc3ccc(N)cc3)n2CCN(CC)CCO)n(CCc2cccc(N)c2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.62
ADORA2B P29275 9/20 0.41
ADORA2A P29274 5/20 0.40
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1333496 0.96 ADORA1 (0.56) ADORA1ADORA2BADORA2ATSHRLMNA
Hydrochloric Acid SCHEMBL4170259 0.95 ADORA1 (0.55) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1332408 0.94 ADORA1 (0.66) ADORA1ADORA2BADORA2ATSHRLMNA
Hydrochloric Acid SCHEMBL1332578 0.93 ADORA1 (0.65) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1333475 0.93 ADORA1 (0.58) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1334385 0.91 ADORA1 (0.61) ADORA1ADORA2BADORA2ATSHRHTT
SCHEMBL1333427 0.91 ADORA1 (0.50) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1334260 0.91 ADORA1 (0.56) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1334418 0.91 ADORA1 (0.54) ADORA1ADORA2BADORA2ATSHRLMNA
SCHEMBL1332527 0.90 ADORA1 (0.52) ADORA1ADORA2BADORA2ATSHRLMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US claimed
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2007-11-29 US claimed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP claimed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 WO claimed
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US disclosed
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2007-11-29 US disclosed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 WO 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 (2 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-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility HRH3, HRH1, HRH2 ADORA1 4/4885ADORA2B 9/4885ADORA2A 7/4885
US-20090068101-A9 A1 Adenosine Receptor Antagonists ADORA1, ADORA3, ADORA2A ADORA1 1/4885ADORA2B 4/4885ADORA2A 3/4885

“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.