SCHEMBL4973644

SCHEMBL4973644

CCOc1ccccc1C=CC(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.41
HSP90AA1 P07900 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AB1 P08238 3/20 0.38
PTPN11 Q06124 1/20 0.37
HCN1 O60741 1/20 0.37
HCN4 Q9Y3Q4 1/20 0.37
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL4973639 1.00 LMNA (0.44) LMNAKDM4EHPGDMAPTHSP90AA1
SCHEMBL4974875 0.92 HPGD (0.51) KDM4EHPGDMAPTNPC1RAB9A
SCHEMBL4974888 0.92 HPGD (0.51) KDM4EHPGDMAPTNPC1RAB9A
SCHEMBL4982090 0.89 HSP90AB1 (0.37) LMNAMAPTHSP90AA1SMN1; SMN2HSP90AB1
SCHEMBL4982100 0.89 HSP90AB1 (0.37) LMNAMAPTHSP90AA1SMN1; SMN2HSP90AB1
SCHEMBL4979645 0.88 KDM2B (0.40) LMNAMAPTHSP90AA1HSP90AB1PTPN11
SCHEMBL4979639 0.88 KDM2B (0.40) LMNAMAPTHSP90AA1HSP90AB1PTPN11
SCHEMBL4978650 0.87 LMNA (0.47) LMNAKDM4EHPGDMAPTNPC1
SCHEMBL4978659 0.87 LMNA (0.47) LMNAKDM4EHPGDMAPTNPC1
SCHEMBL4979891 0.86 PTPN11 (0.40) MAPTHSP90AA1HSP90AB1PTPN11TLR4

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 2 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

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 LMNA 4534/4885KDM4E 1865/4885HPGD 159/4885

“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.