SCHEMBL4980586

SCHEMBL4980586

O=C(CCC1CCCC1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HIF1A Q16665 1/20 0.51
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.40
PTPN11 Q06124 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
HSP90AB1 P08238 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 4/20 0.38
FAAH O00519 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
SCHEMBL4975352 0.90 KDM4E (0.42) ALDH1A1MAPTKDM4EHIF1APTPN11
SCHEMBL4979983 0.89 KDM4E (0.43) ALDH1A1MAPTKDM4EHIF1APTPN11
SCHEMBL4980295 0.88 HSP90AA1 (0.42) MAPTTP53PTPN11LMNAHSP90AB1
SCHEMBL4976378 0.86 MAPT (0.43) MAPTTP53LMNAHSP90AB1HSP90AA1
SCHEMBL4978718 0.86 HSP90AA1 (0.43) MAPTTP53PTPN11LMNAHSP90AB1
SCHEMBL14346649 0.85 MAPT (0.42) MAPTKMT2AMEN1TP53LMNA
SCHEMBL4980661 0.85 HSP90AA1 (0.43) MAPTKDM4EPTPN11HSP90AB1HSP90AA1
SCHEMBL4976252 0.85 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1PTPN11
SCHEMBL4977945 0.83 HCRTR1 (0.47) ALDH1A1MAPTKMT2AMEN1PTPN11
SCHEMBL4977918 0.83 KDM4E (0.48) MAPTKDM4EPTPN11HSP90AB1HSP90AA1

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 ALDH1A1 1142/4885MAPT 2301/4885KDM4E 1865/4885

“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.