SCHEMBL4980692

SCHEMBL4980692

CC(C)CCN1CCc2ncnc(N3CCN(C4CCC4)CC3)c2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.44
TLR9 Q9NR96 4/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HRH1 P35367 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 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
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4976057 0.92 TLR7 (0.41) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4978201 0.90 TLR7 (0.42) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4980317 0.87 TLR7 (0.48) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4978270 0.86 TLR7 (0.54) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4977027 0.85 TLR7 (0.52) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4978039 0.85 TLR7 (0.41) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4981562 0.85 TLR7 (0.42) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4976369 0.84 TLR7 (0.41) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4979734 0.84 TLR7 (0.51) TLR7TLR9HRH3HRH1MEN1
SCHEMBL4978082 0.83 TLR7 (0.43) TLR7TLR9HRH3HRH1MEN1

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 653/4885HRH3 1/4885

“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.