SCHEMBL4976323

SCHEMBL4976323

O=C(c1cccc2ccccc12)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
HSP90AB1 P08238 6/20 0.44
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
GAA P10253 1/20 0.44
PTPN11 Q06124 1/20 0.44
MBTD1 Q05BQ5 1/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.42
HSP90AA1 P07900 3/20 0.42
LMNA P02545 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
SCHEMBL4976947 0.89 MEN1 (0.53) ALDH1A1KDM4EMEN1KMT2AHSP90AB1
SCHEMBL4976751 0.88 CCR3 (0.46) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL4980285 0.88 GBA1 (0.55) ALDH1A1HSP90AB1HCRTR1HCRTR2PTPN11
SCHEMBL4976933 0.88 PTPN11 (0.48) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL4976243 0.88 KDM2B (0.54) ALDH1A1KDM4EHSP90AB1HCRTR1HCRTR2
SCHEMBL4978051 0.87 SLC6A7 (0.53) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL4976881 0.86 GBA1 (0.46) KDM4EHSP90AB1HCRTR1HCRTR2HSP90AA1
SCHEMBL4978487 0.86 HSP90AB1 (0.47) MEN1KMT2AHSP90AB1HCRTR1HCRTR2
SCHEMBL4976359 0.85 HSP90AB1 (0.52) ALDH1A1KDM4EHSP90AB1PTPN11L3MBTL3
SCHEMBL4980718 0.85 HCRTR1 (0.47) KDM4EHSP90AB1HCRTR1HCRTR2PTPN11

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 1865/4885MEN1 4419/4885

“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.