SCHEMBL4980700

SCHEMBL4980700

COc1ccccc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
HSP90AB1 P08238 4/20 0.54
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 3/20 0.46
PDE4B Q07343 1/20 0.45
TYR P14679 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NTSR1 P30989 1/20 0.43
PTPN11 Q06124 1/20 0.42

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
SCHEMBL4978041 0.92 GAA (0.51) KDM4EHSP90AB1ALDH1A1HTTHCRTR1
SCHEMBL4978905 0.91 LMNA (0.47) KDM4EHSP90AB1HTTHCRTR1HCRTR2
SCHEMBL4975077 0.91 HSP90AB1 (0.49) KDM4EHSP90AB1ALDH1A1HSD17B10HTT
SCHEMBL4973674 0.90 HSP90AB1 (0.48) KDM4EHSP90AB1ALDH1A1HSD17B10HCRTR1
SCHEMBL4978109 0.90 HSP90AB1 (0.46) KDM4EHSP90AB1ALDH1A1HCRTR1HCRTR2
SCHEMBL4976769 0.90 TSHR (0.48) KDM4EHSP90AB1ALDH1A1HSD17B10HCRTR1
SCHEMBL4976400 0.89 HSP90AB1 (0.47) KDM4EHSP90AB1ALDH1A1HCRTR1HCRTR2
SCHEMBL4979839 0.89 HSP90AB1 (0.68) KDM4EHSP90AB1ALDH1A1HSD17B10HTT
SCHEMBL4978532 0.89 HSP90AB1 (0.68) HSP90AB1HCRTR1HCRTR2HSP90AA1
SCHEMBL4980604 0.89 HSP90AB1 (0.44) KDM4EHSP90AB1HCRTR1HCRTR2HSP90AA1

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 1865/4885HSP90AB1 2652/4885ALDH1A1 1142/4885

“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.