SCHEMBL4980349

SCHEMBL4980349

CCCCCCN1CCc2ncnc(N3CCN(C4CCC4)CC3)c2CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.50
TLR9 Q9NR96 7/20 0.44
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTR1A P08908 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
SCHEMBL4979734 0.99 TLR7 (0.51) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4977027 0.96 TLR7 (0.52) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4976363 0.93 TLR7 (0.47) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4980629 0.91 TLR7 (0.48) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4980317 0.91 TLR7 (0.48) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4980337 0.88 TLR7 (0.48) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4978270 0.88 TLR7 (0.54) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4980692 0.83 TLR7 (0.44) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4978082 0.83 TLR7 (0.43) TLR7TLR9HRH1HRH3MEN1
SCHEMBL4978201 0.82 TLR7 (0.42) TLR7TLR9HRH1HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 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 (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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 TLR7 799/4885TLR9 653/4885HRH1 4/4885

“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.