SCHEMBL381897

SCHEMBL381897

COC(=O)CN(C)c1nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 0.70
SLC6A3 Q01959 1/20 0.70

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
SCHEMBL381784 0.93 ADORA1 (0.71) ADORA1SLC6A3
SCHEMBL382526 0.93 ADORA1 (0.68) ADORA1SLC6A3
SCHEMBL8028162 0.93 ADORA1 (0.73) ADORA1SLC6A3
SCHEMBL12910823 0.92 ADORA1 (0.63) ADORA1SLC6A3
SCHEMBL8028210 0.91 ADORA1 (0.59) ADORA1SLC6A3
SCHEMBL10195768 0.91 ADORA1 (0.57) ADORA1SLC6A3
SCHEMBL3728434 0.90 ADORA1 (0.75) ADORA1SLC6A3
SCHEMBL3727883 0.90 ADORA1 (0.72) ADORA1SLC6A3
SCHEMBL3739334 0.89 ADORA1 (0.79) ADORA1SLC6A3
SCHEMBL3730903 0.89 ADORA1 (0.73) ADORA1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609686-B2 Substituted azabicyclic compounds and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
EP-2235011-B1 SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS Bayer Pharma AG (DE) 2012-01-25 EP disclosed
EP-2235011-B1 SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS Bayer Pharma AG (DE) 2012-01-25 EP disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 US disclosed
US-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-06 US disclosed
WO-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 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-20110003845-A1 SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF PPIP5K2, TPMT, PNPO ADORA1 2110/4885SLC6A3 3269/4885

“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.