SCHEMBL4979675

SCHEMBL4979675

COc1ccc(CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.46
HSP90AB1 P08238 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
PI4KB Q9UBF8 1/20 0.44
MAPT P10636 3/20 0.43
PDE2A O00408 1/20 0.41
PDE3A Q14432 1/20 0.41
NAMPT P43490 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4981991 0.95 MAPT (0.49) ALDH1A1KDM4EHSD17B10HPGDGFER
SCHEMBL4976963 0.91 MAPT (0.49) ALDH1A1KDM4EHPGDHSP90AB1HTT
SCHEMBL4979742 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDGFER
SCHEMBL4976981 0.88 MAPT (0.51) ALDH1A1KDM4EHSD17B10HSP90AB1MEN1
SCHEMBL4977998 0.87 HSP90AB1 (0.44) ALDH1A1KDM4EHSP90AB1KMT2AMAPT
SCHEMBL4978525 0.87 HSP90AB1 (0.52) ALDH1A1KDM4EHSP90AB1MEN1KMT2A
SCHEMBL4979699 0.86 HSP90AB1 (0.44) ALDH1A1KDM4EHSD17B10HSP90AB1MAPT
SCHEMBL4978406 0.86 POLB (0.47) ALDH1A1KDM4EGFERHSP90AB1MEN1
SCHEMBL4976800 0.86 MAPT (0.43) HSD17B10HSP90AB1MAPTTSHRMAPK1
SCHEMBL4976253 0.86 KDM4E (0.48) ALDH1A1KDM4EHSP90AB1HTTMEN1

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 ALDH1A1 1142/4885KDM4E 1865/4885HSD17B10 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.