SCHEMBL4980440

SCHEMBL4980440

CCOc1ncccc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 2/20 0.47
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 4/20 0.47
HSP90AB1 P08238 6/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 3/20 0.43

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
SCHEMBL4980588 0.94 HSP90AB1 (0.45) KDM4ESMN1; SMN2ALDH1A1NPC1HCRTR1
SCHEMBL4980707 0.92 HSP90AB1 (0.51) KDM4EALDH1A1HCRTR1HCRTR2HSP90AB1
SCHEMBL4979003 0.89 HSP90AB1 (0.45) HCRTR1HCRTR2HSP90AB1MAPTHSP90AA1
SCHEMBL4978905 0.88 LMNA (0.47) KDM4ESMN1; SMN2HCRTR1HCRTR2HSP90AB1
SCHEMBL4979010 0.88 HSP90AB1 (0.45) HCRTR1HCRTR2HSP90AB1MAPT
SCHEMBL4980539 0.87 HSP90AB1 (0.48) HCRTR1HCRTR2HSP90AB1MAPTHSP90AA1
SCHEMBL4978732 0.86 HSP90AB1 (0.51) HCRTR1HCRTR2HSP90AB1MAPTHSP90AA1
SCHEMBL4978679 0.86 HSP90AB1 (0.44) HCRTR1HCRTR2HSP90AB1MAPTHSP90AA1
SCHEMBL14273428 0.85 HSP90AB1 (0.50) HCRTR1HCRTR2HSP90AB1MAPT
SCHEMBL4979568 0.85 HSP90AB1 (0.49) HCRTR1HCRTR2HSP90AB1KMT2AMEN1

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 1865/4885SMN1; SMN2 3880/4885ALDH1A1 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.