SCHEMBL4980266

SCHEMBL4980266

O=C(C1CCCCC1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
PTPN11 Q06124 1/20 0.45
MET P08581 1/20 0.43
GBA1 P04062 1/20 0.43
HSP90AA1 P07900 3/20 0.42
KEAP1 Q14145 1/20 0.42
MAPT P10636 1/20 0.41
HSP90AB1 P08238 3/20 0.41
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4974941 1.00 HCRTR1 (0.48) HCRTR1HCRTR2PTPN11METGBA1
SCHEMBL4977945 0.99 HCRTR1 (0.47) HCRTR1HCRTR2PTPN11METGBA1
SCHEMBL4976398 0.98 HCRTR1 (0.45) HCRTR1HCRTR2PTPN11METGBA1
SCHEMBL4978212 0.96 MAPT (0.43) HCRTR1HCRTR2PTPN11HSP90AA1MAPT
SCHEMBL4976921 0.87 HSP90AA1 (0.40) HCRTR1HCRTR2PTPN11HSP90AA1MAPT
SCHEMBL4979983 0.85 KDM4E (0.43) PTPN11HSP90AA1MAPTHSP90AB1TLR4
SCHEMBL4979788 0.85 TLR4 (0.45) HCRTR1HCRTR2PTPN11MAPTHSP90AB1
SCHEMBL4975352 0.84 KDM4E (0.42) HCRTR1HCRTR2PTPN11HSP90AA1MAPT
SCHEMBL4978718 0.84 HSP90AA1 (0.43) HCRTR1HCRTR2PTPN11HSP90AA1MAPT
SCHEMBL4978771 0.84 HSP90AA1 (0.46) HCRTR1HCRTR2PTPN11HSP90AA1MAPT

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 HCRTR1 198/4885HCRTR2 161/4885PTPN11 4015/4885

“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.