SCHEMBL4985690

SCHEMBL4985690

CCCn1c(=O)c2[nH]c(C3CC4CCC(C3)C4=O)nc2n(CCC)c1=O

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.83
ADORA2A P29274 5/20 0.75
ADORA2B P29275 4/20 0.75
ADORA3 P0DMS8 2/20 0.75
MEN1 O00255 1/20 0.75
GMNN O75496 1/20 0.75
LMNA P02545 1/20 0.75
CYP1A2 P05177 1/20 0.75
TSHR P16473 1/20 0.75
PMP22 Q01453 1/20 0.75
KMT2A Q03164 1/20 0.75
HIF1A Q16665 1/20 0.75

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
SCHEMBL4621677 0.91 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3MEN1
Trifluoroacetic Acid SCHEMBL4985222 0.90 ADORA1 (0.68) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9729348 0.90 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8873114 0.90 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9728826 0.90 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9728748 0.90 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9728743 0.90 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8358345 0.88 ADORA1 (0.79) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL4987642 0.86 ADORA1 (0.77) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8836301 0.86 ADORA1 (0.76) ADORA1ADORA2AADORA2BADORA3MEN1

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-20080004293-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC. 2008-01-03 US disclosed
EP-1775297-A2 Adenosine receptor antagonists and methods of making and using the same Biogen Idec MA, Inc. (US) 2007-04-18 EP disclosed
EP-1230241-B1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2007-02-07 EP disclosed
US-20050222179-A1 Adenosine receptor antagonists and methods of making and using the same ENSINGER CAROL L 2005-10-06 US disclosed
US-20030225038-A1 Adenosine receptor antagonists and methods of making and using the same BIOGEN, INC. 2003-12-04 US disclosed
US-6605600-B1 Diuretics BIOGEN, INCORPORATED 2003-08-12 US disclosed
EP-1230241-A2 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2002-08-14 EP disclosed
WO-2001034604-A2 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2001-05-17 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 (3 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-20050222179-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA2B 4/4885
US-20030225038-A1 Adenosine receptor antagonists and methods of making and using the same ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA2B 4/4885
US-20080004293-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA2B 4/4885

“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.