SCHEMBL4975375

SCHEMBL4975375

Cn1ccnc1CN1CCc2ncnc(N3CCN(C4CCC4)CC3)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.40
HRH3 Q9Y5N1 4/20 0.38
HRH1 P35367 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR9 Q9NR96 3/20 0.37
SCN9A Q15858 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
KAT2B Q92831 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
DCPS Q96C86 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
P4HTM Q9NXG6 1/20 0.32
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 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
SCHEMBL4978417 0.93 TLR7 (0.39) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4978270 0.83 TLR7 (0.54) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4980317 0.82 TLR7 (0.48) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4981943 0.81 MEN1 (0.55) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4083239 0.81 HRH1 (0.47) HRH3HRH1MEN1KMT2AALDH1A1
SCHEMBL4977027 0.81 TLR7 (0.52) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4978201 0.81 TLR7 (0.42) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4977006 0.80 HRH3 (0.45) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4980692 0.80 TLR7 (0.44) TLR7HRH3HRH1MEN1KMT2A
SCHEMBL4979734 0.80 TLR7 (0.51) TLR7HRH3HRH1MEN1KMT2A

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.