SCHEMBL4074301

SCHEMBL4074301

CC(C)(C)OC(=O)N1CCc2nc(N3CCN(C4CCC4)CC3)ncc2C1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.73
HSP90AA1 P07900 6/20 0.46
HSP90AB1 P08238 6/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
OGA O60502 1/20 0.41
ESR2 Q92731 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL4976070 0.89 MAPT (0.60) MAPTDDB1CRBNGPR119OPRM1
SCHEMBL4980291 0.86 HSP90AA1 (0.55) MAPTHSP90AA1HSP90AB1OGA
SCHEMBL30405602 0.85 MAPT (1.00) MAPTHSP90AB1GPR119
SCHEMBL30363533 0.83 MAPT (0.81) MAPTHSP90AA1HSP90AB1GPR119OGA
SCHEMBL21527992 0.83 MAPT (0.81) MAPTHSP90AA1HSP90AB1GPR119OGA
SCHEMBL1017921 0.83 MAPT (0.77) MAPTHSP90AA1HSP90AB1
SCHEMBL31046962 0.83 MAPT (0.77) MAPTHSP90AA1HSP90AB1DDB1CRBN
SCHEMBL21528007 0.83 MAPT (0.77) MAPTHSP90AA1HSP90AB1DDB1CRBN
SCHEMBL31590824 0.81 MAPT (0.71) MAPTHSP90AB1DDB1CRBNGPR119
SCHEMBL21528083 0.80 MAPT (0.72) MAPTHSP90AA1HSP90AB1OGAESR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029588-A4 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-08-05 EP disclosed
EP-2029588-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES Neurogen Corporation (US) 2009-03-04 EP 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
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 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.