SCHEMBL4980503

SCHEMBL4980503

COCCOCC(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HSP90AA1 P07900 5/20 0.38
HSP90AB1 P08238 4/20 0.38
PTPN11 Q06124 1/20 0.37
BDKRB1 P46663 3/20 0.37
NAMPT P43490 3/20 0.37
KDM4E B2RXH2 2/20 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
POLB P06746 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4976252 0.90 MAPT (0.42) MAPTHSP90AA1HSP90AB1PTPN11TLR4
SCHEMBL4976307 0.85 ACHE (0.51) HSP90AB1KDM4EPOLBTDP1
SCHEMBL4978718 0.85 HSP90AA1 (0.43) MAPTHSP90AA1HSP90AB1PTPN11TLR4
SCHEMBL4976502 0.83 KDM4E (0.50) HSP90AB1KDM4EPOLBTDP1
SCHEMBL4980557 0.83 KDM4E (0.49) MAPTHSP90AB1KDM4EPOLBTDP1
SCHEMBL4980295 0.83 HSP90AA1 (0.42) MAPTHSP90AA1HSP90AB1PTPN11TLR4
SCHEMBL4973559 0.83 KDM4E (0.59) MAPTPTPN11KDM4EPOLBTDP1
SCHEMBL4977918 0.82 KDM4E (0.48) MAPTHSP90AA1HSP90AB1PTPN11KDM4E
SCHEMBL4978018 0.82 GAA (0.50) MAPTHSP90AB1KDM4EPOLBTDP1
SCHEMBL4979744 0.81 MEN1 (0.50) MAPTKDM4EPOLBTDP1

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 MAPT 2301/4885HSP90AA1 2689/4885HSP90AB1 2652/4885

“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.