SCHEMBL4693402

SCHEMBL4693402

CCCN1C(=O)N2CCN=C2c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.47
ADORA2A P29274 11/20 0.47
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
ADORA2B P29275 7/20 0.35
ADORA3 P0DMS8 2/20 0.34

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
SCHEMBL13446206 0.94 ADORA1 (0.46) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL7954497 0.93 ADORA1 (0.45) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL13446201 0.89 PDE4A (0.45) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL13446200 0.83 PDE4A (0.47) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL7965578 0.83 ADORA1 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL13446204 0.82 PDE4A (0.44) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL7952534 0.82 ADORA2A (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL13446203 0.82 ADORA2A (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7959531 0.81 ADORA1 (0.44) ADORA1ADORA2AADORA2BADORA3
SCHEMBL13446202 0.81 ADORA1 (0.43) ADORA1ADORA2AADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063071-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE BIOGEN IDEC MA INC. 2010-03-11 US disclosed
US-20100063071-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE BIOGEN IDEC MA INC. 2010-03-11 US disclosed
EP-1347981-B1 CONDENSED PURINE DERIVATIVES AS A 1 ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2008-05-07 EP disclosed
US-7022686-B2 A1 adenosine receptro antagonists BIOGEN IDEC INC. (US) 2006-04-04 US disclosed
US-20030220358-A1 A1 adenosine receptro antagonists BIOGEN IDEC MA INC. 2003-11-27 US disclosed
US-6605601-B2 Hypotensive agents; cardiovascular disorders BIOGEN, INC. 2003-08-12 US disclosed
US-20020111333-A1 A1 adenosine receptor antagonists BIOGEN IDEC MA INC. 2002-08-15 US 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-20100063071-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE ADORA2A, P2RX3, P2RX6 ADORA1 8/4885ADORA2A 1/4885PDE4A 142/4885
US-20030220358-A1 A1 adenosine receptro antagonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885PDE4A 149/4885
US-20020111333-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885PDE4A 107/4885

“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.