SCHEMBL4978461

SCHEMBL4978461

CCC(CC)CN1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.42
HRH3 Q9Y5N1 3/20 0.39
HRH1 P35367 1/20 0.39
TLR9 Q9NR96 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
PIK3CA P42336 5/20 0.34
MTOR P42345 5/20 0.34
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32

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
SCHEMBL4978082 0.93 TLR7 (0.43) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4978432 0.91 TLR7 (0.42) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4976369 0.89 TLR7 (0.41) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4978177 0.88 TLR7 (0.51) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4978663 0.87 TLR7 (0.41) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4980337 0.85 TLR7 (0.48) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4980629 0.84 TLR7 (0.48) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4976057 0.84 TLR7 (0.41) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4981562 0.83 TLR7 (0.42) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4976363 0.83 TLR7 (0.47) TLR7HRH3HRH1TLR9MEN1

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 799/4885HRH3 1/4885HRH1 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.