SCHEMBL1334672

SCHEMBL1334672

CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(CCCN(C)C)c(=O)n2CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
PARN O95453 1/20 0.43
CNOT7 Q9UIV1 1/20 0.43
OPRM1 P35372 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC22A2 O15244 1/20 0.36
ADRB1 P08588 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC47A2 Q86VL8 1/20 0.36
SLC47A1 Q96FL8 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
SCHEMBL1333168 0.93 ADORA1 (0.52) ADORA1OPRM1TSHRALDH1A1ADORA3
SCHEMBL1332642 0.91 ADORA1 (0.43) ADORA1OPRM1TSHRALDH1A1ADORA3
SCHEMBL1332479 0.90 ADORA1 (0.46) ADORA1OPRM1TSHRALDH1A1NPSR1
SCHEMBL1334353 0.89 ADORA1 (0.56) ADORA1PARNCNOT7TSHRALDH1A1
SCHEMBL1334500 0.86 PARN (0.41) ADORA1PARNCNOT7TSHRALDH1A1
SCHEMBL1334833 0.85 ADORA1 (0.53) ADORA1CNOT7TSHRALDH1A1NPSR1
SCHEMBL1333054 0.85 ADORA1 (0.47) ADORA1OPRM1TSHRALDH1A1ADORA3
SCHEMBL1334646 0.85 CNOT7 (0.44) ADORA1PARNCNOT7TSHRALDH1A1
SCHEMBL1333504 0.85 ADORA1 (0.49) ADORA1OPRM1TSHRADORA3NPSR1
SCHEMBL1334712 0.84 ADORA1 (0.44) ADORA1PARNCNOT7TSHRALDH1A1

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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES WILSON CONSTANCE N (US) 2011-11-17 US disclosed
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 (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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES ADORA1, ADORA3, ADORA2A ADORA1 1/4885PARN 1467/4885CNOT7 2310/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA1 1/4885PARN 2321/4885CNOT7 2240/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885PARN 2541/4885CNOT7 3449/4885

“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.