SCHEMBL4976769

SCHEMBL4976769

O=C(c1ccccc1Oc1ccccc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HSP90AB1 P08238 4/20 0.47
HRH3 Q9Y5N1 5/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTPN11 Q06124 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 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
SCHEMBL4973674 0.93 HSP90AB1 (0.48) TSHRALDH1A1MEN1LMNATP53
SCHEMBL4976903 0.93 HRH3 (0.47) TSHRALDH1A1MEN1LMNATP53
SCHEMBL4980700 0.90 KDM4E (0.56) ALDH1A1MEN1KMT2AHSD17B10HSP90AB1
SCHEMBL4979010 0.89 HSP90AB1 (0.45) MAPTHSP90AB1HRH3PTPN11HCRTR1
SCHEMBL4978109 0.88 HSP90AB1 (0.46) ALDH1A1LMNATP53MAPTHSP90AB1
SCHEMBL4978905 0.88 LMNA (0.47) TSHRLMNAMAPTHSP90AB1KDM4E
SCHEMBL4976026 0.88 HRH3 (0.54) ALDH1A1HSP90AB1HRH3KDM4E
SCHEMBL4976400 0.87 HSP90AB1 (0.47) ALDH1A1LMNATP53MAPTHSP90AB1
SCHEMBL4980604 0.87 HSP90AB1 (0.44) LMNAMAPTHSP90AB1HRH3KDM4E
SCHEMBL4980285 0.87 GBA1 (0.55) ALDH1A1HSP90AB1PTPN11HCRTR1HCRTR2

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 TSHR 223/4885ALDH1A1 1142/4885MEN1 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.