SCHEMBL4976369

SCHEMBL4976369

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HRH1 P35367 1/20 0.40
POLB P06746 1/20 0.39
TLR9 Q9NR96 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
BRS3 P32247 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL4978201 0.92 TLR7 (0.42) TLR7HRH3HRH1POLBTLR9
SCHEMBL4978432 0.90 TLR7 (0.42) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4976057 0.90 TLR7 (0.41) TLR7HRH3HRH1POLBTLR9
SCHEMBL4978461 0.89 TLR7 (0.42) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4978663 0.89 TLR7 (0.41) TLR7HRH3HRH1POLBTLR9
SCHEMBL4978177 0.87 TLR7 (0.51) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4980337 0.84 TLR7 (0.48) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4980692 0.84 TLR7 (0.44) TLR7HRH3HRH1POLBTLR9
SCHEMBL4981975 0.84 HRH3 (0.44) TLR7HRH3HRH1TLR9MEN1
SCHEMBL4980629 0.83 TLR7 (0.48) 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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 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-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.