SCHEMBL4980368

SCHEMBL4980368

c1cc2c(cc1CN1CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 5/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
SLC6A2 P23975 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL4976703 0.94 LMNA (0.52) LMNAPOLBMAPTHSP90AB1TP53
SCHEMBL4976372 0.84 LMNA (0.51) LMNAPOLBMAPTHSP90AB1TP53
SCHEMBL4978686 0.83 LMNA (0.64) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL4979105 0.83 HSP90AB1 (0.62) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL4978720 0.83 LMNA (0.53) LMNAPOLBMAPTHSP90AB1TP53
SCHEMBL4980324 0.82 LMNA (0.50) LMNAPOLBMAPTHSP90AB1TP53
SCHEMBL4978929 0.81 MAPT (0.51) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL4980665 0.81 HSP90AB1 (0.51) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL4980704 0.81 LMNA (0.46) LMNAPOLBMAPTHSP90AB1TP53
SCHEMBL4977885 0.80 LMNA (0.48) LMNAPOLBMAPTHSP90AB1TP53

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 MEN1 4419/4885KMT2A 1417/4885LMNA 4534/4885

“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.