SCHEMBL4851387

SCHEMBL4851387

Nc1ncnc2c1ncn2C1CCC(CC(=O)O)CC1N

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 11/20 0.74
AHCY P23526 7/20 0.56
ADORA2B P29275 1/20 0.50

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
SCHEMBL6045742 0.85 ADCY5 (1.00) ADCY5ADORA2B
SCHEMBL6045752 0.85 ADCY5 (1.00) ADCY5ADORA2B
SCHEMBL6045780 0.85 ADCY5 (1.00) ADCY5ADORA2B
SCHEMBL6045662 0.85 ADCY5 (1.00) ADCY5ADORA2B
SCHEMBL6711467 0.79 ADCY5 (0.60) ADCY5AHCY
SCHEMBL6711464 0.79 ADCY5 (0.60) ADCY5AHCY
SCHEMBL4850989 0.79 PNP (0.49) ADCY5
SCHEMBL6045834 0.74 ADCY5 (1.00) ADCY5
SCHEMBL6045726 0.74 ADCY5 (1.00) ADCY5
SCHEMBL6045675 0.74 ADCY5 (1.00) ADCY5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP claimed
US-7439345-B2 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2008-10-21 US claimed
US-6689884-B1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-02-10 US claimed
EP-1049678-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS Nanogen Recognomics GmbH (DE) 2000-11-08 EP claimed
WO-1999015509-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 WO claimed
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP disclosed
US-7439345-B2 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2008-10-21 US disclosed
US-20040142451-A1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-07-22 US disclosed
US-6689884-B1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-02-10 US disclosed
EP-1049678-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS Nanogen Recognomics GmbH (DE) 2000-11-08 EP disclosed
WO-1999015509-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 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 (1 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-20040142451-A1 Supramolecular pairing system, its preparation and use TIMCC, MTCL3, UACA ADCY5 1862/4885AHCY 2831/4885ADORA2B 4775/4885

“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.