SCHEMBL4975352

SCHEMBL4975352

O=C(CC1CCCC1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN11 Q06124 1/20 0.41
MAPT P10636 2/20 0.40
HSP90AB1 P08238 4/20 0.39
HSP90AA1 P07900 5/20 0.39
HIF1A Q16665 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL4979983 0.99 KDM4E (0.43) KDM4EALDH1A1HSD17B10PTPN11MAPT
SCHEMBL4980586 0.90 ALDH1A1 (0.51) KDM4EALDH1A1PTPN11MAPTHSP90AB1
SCHEMBL4978718 0.88 HSP90AA1 (0.43) PTPN11MAPTHSP90AB1HSP90AA1TLR4
SCHEMBL4980295 0.86 HSP90AA1 (0.42) PTPN11MAPTHSP90AB1HSP90AA1TLR4
SCHEMBL4977945 0.85 HCRTR1 (0.47) ALDH1A1PTPN11MAPTHSP90AB1HSP90AA1
SCHEMBL4977918 0.85 KDM4E (0.48) KDM4EPTPN11MAPTHSP90AB1HSP90AA1
SCHEMBL4974941 0.84 HCRTR1 (0.48) PTPN11MAPTHSP90AB1HSP90AA1TLR4
SCHEMBL4980266 0.84 HCRTR1 (0.48) PTPN11MAPTHSP90AB1HSP90AA1TLR4
SCHEMBL4976378 0.84 MAPT (0.43) MAPTHSP90AB1HSP90AA1TLR4TLR9
SCHEMBL4976398 0.84 HCRTR1 (0.45) PTPN11MAPTHSP90AB1HSP90AA1TLR4

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 KDM4E 1865/4885ALDH1A1 1142/4885HSD17B10 4078/4885

“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.