SCHEMBL2076576

SCHEMBL2076576

CCCn1c(=O)c2c(nc(Cc3ccc(F)cc3F)n2CCN(CC)CCO)n(CCc2ccc(N)cc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.61
ADORA2B P29275 10/20 0.39
ADORA2A P29274 4/20 0.38
ADORA3 P0DMS8 2/20 0.37
PCSK9 Q8NBP7 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1332532 0.91 ADORA1 (0.65) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL2074896 0.87 ADORA1 (0.64) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL1332408 0.86 ADORA1 (0.66) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL1333042 0.86 ADORA1 (0.60) ADORA1ADORA2BADORA2AADORA3TSHR
Hydrochloric Acid SCHEMBL1332578 0.85 ADORA1 (0.65) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL1333424 0.84 ADORA1 (0.51) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL1333086 0.84 ADORA1 (0.64) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL4176173 0.84 ADORA1 (0.62) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL5653536 0.84 ADORA1 (0.63) ADORA1ADORA2BADORA2AADORA3TSHR
SCHEMBL1332766 0.84 ADORA1 (0.63) ADORA1ADORA2BADORA2AADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP claimed
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US claimed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP claimed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US claimed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 WO claimed
US-7902360-B2 e.g. 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(2-ethylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility WILSON CONSTANCE N 2011-03-08 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-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US 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

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-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA1 1/4885ADORA2B 4/4885ADORA2A 3/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2B 4/4885ADORA2A 2/4885

“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.