SCHEMBL4980306

SCHEMBL4980306

c1ccc2c(CN3CCc4ncnc(N5CCN(C6CCC6)CC5)c4CC3)ccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.41
HIF1A Q16665 1/20 0.41
RAD52 P43351 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
ACHE P22303 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.37
SORD Q00796 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL4978857 0.94 HRH1 (0.53) HRH1HRH3ALDH1A1LMNAKDM4E
SCHEMBL4975288 0.83 HRH3 (0.44) HRH1HRH3ALDH1A1LMNAKDM4E
SCHEMBL4976029 0.83 HRH1 (0.44) HRH1HRH3ALDH1A1LMNAKDM4E
SCHEMBL4083239 0.83 HRH1 (0.47) HRH1HRH3ALDH1A1LMNAKDM4E
SCHEMBL4976167 0.81 KMT2A (0.46) HRH1HRH3ALDH1A1MEN1KMT2A
SCHEMBL4976233 0.81 HRH3 (0.47) HRH1HRH3ALDH1A1LMNAHTT
SCHEMBL4980623 0.80 HRH3 (0.45) HRH1HRH3FAAHMEN1KMT2A
SCHEMBL4977783 0.79 TRPV6 (0.53) HRH1HRH3ALDH1A1KDM4EMEN1
SCHEMBL4976664 0.79 HRH1 (0.39) HRH1HRH3ALDH1A1LMNAKDM4E
SCHEMBL4976928 0.79 MAPT (0.47) HRH1HRH3ALDH1A1LMNAKDM4E

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 HRH1 4/4885HRH3 1/4885ALDH1A1 1142/4885

“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.