SCHEMBL3625111

SCHEMBL3625111

CCCCCC(N1C(=O)C=CC1=O)N1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.41
FAAH O00519 5/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 2/20 0.30
PTGER2 P43116 2/20 0.30

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
SCHEMBL1982533 0.89 FAAH (0.39) MGLLFAAHSMN1; SMN2ALDH1A1MAPT
SCHEMBL43497 0.89 MGLL (0.48) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL8626067 0.88 MGLL (0.41) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL8632296 0.88 MGLL (0.41) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL8629338 0.88 MGLL (0.41) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL8829436 0.88 MGLL (0.41) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL7044109 0.88 MGLL (0.52) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL4304987 0.88 MGLL (0.52) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL4309970 0.88 MGLL (0.52) MGLLFAAHPTGS1PTGS2LMNA
SCHEMBL4306818 0.88 MGLL (0.52) MGLLFAAHPTGS1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522916-B2 A1 adenosine receptor antagonists WILSON CONSTANCE NEELY (US) 2016-12-20 US disclosed
US-20140031375-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS WILSON CONSTANCE NEELY (US) 2014-01-30 US disclosed
EP-2222676-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2010-09-01 EP disclosed
WO-2009086077-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2009-07-09 WO disclosed
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US disclosed
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP disclosed
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2007-12-06 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
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US disclosed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US disclosed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 WO 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 (5 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-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A MGLL 3223/4885FAAH 786/4885PTGS1 2818/4885
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 MGLL 4141/4885FAAH 42/4885PTGS1 276/4885
US-20140031375-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 MGLL 3474/4885FAAH 940/4885PTGS1 505/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 MGLL 3473/4885FAAH 664/4885PTGS1 930/4885
US-20090068101-A9 A1 Adenosine Receptor Antagonists ADORA1, ADORA3, ADORA2A MGLL 4276/4885FAAH 51/4885PTGS1 1191/4885

“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.