SCHEMBL4976153

SCHEMBL4976153

O=C(c1ccccn1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.48
HRH3 Q9Y5N1 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PTPN11 Q06124 1/20 0.43
HTT P42858 1/20 0.42
EPHX2 P34913 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
PDE4B Q07343 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL4976359 0.87 HSP90AB1 (0.52) HSP90AB1HRH3L3MBTL1PTPN11
SCHEMBL4977942 0.85 KDM4E (0.53) HSP90AB1HRH3L3MBTL1MAPTHCRTR1
SCHEMBL4978732 0.85 HSP90AB1 (0.51) HSP90AB1MAPTHCRTR1HCRTR2PTPN11
SCHEMBL4976947 0.85 MEN1 (0.53) HSP90AB1HRH3L3MBTL1HCRTR1HCRTR2
SCHEMBL4980539 0.84 HSP90AB1 (0.48) HSP90AB1MAPTHCRTR1HCRTR2PTPN11
SCHEMBL4979080 0.84 CYP2D6 (0.43) HSP90AB1HRH3MAPTPTPN11
SCHEMBL4976933 0.84 PTPN11 (0.48) HSP90AB1L3MBTL1HCRTR1HCRTR2PTPN11
SCHEMBL4980285 0.84 GBA1 (0.55) HSP90AB1HCRTR1HCRTR2PTPN11HTT
SCHEMBL4975336 0.84 HSP90AB1 (0.49) HSP90AB1HRH3MAPTPDGFRBKDR
SCHEMBL4996485 0.84 HSP90AB1 (0.52) HSP90AB1HRH3L3MBTL1PTPN11

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 HSP90AB1 2652/4885HRH3 1/4885L3MBTL1 2549/4885

“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.