SCHEMBL4976963

SCHEMBL4976963

COc1cc(CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
HSP90AB1 P08238 3/20 0.47
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PDGFRB P09619 1/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 3/20 0.40
FYN P06241 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL4979675 0.91 ALDH1A1 (0.48) MAPTHSP90AB1KDM4ELMNATSHR
SCHEMBL4977998 0.90 HSP90AB1 (0.44) MAPTHSP90AB1KDM4ETSHRKMT2A
SCHEMBL4981991 0.88 MAPT (0.49) MAPTHSP90AB1KDM4ELMNAKMT2A
SCHEMBL4979696 0.87 KDM4E (0.52) MAPTHSP90AB1KDM4EPOLBPDGFRB
SCHEMBL4979742 0.86 ALDH1A1 (0.48) MAPTHSP90AB1KDM4ESMN1; SMN2LMNA
SCHEMBL4977156 0.86 HSP90AB1 (0.43) MAPTHSP90AB1KDM4EPOLBLMNA
SCHEMBL4980682 0.85 ALDH1A1 (0.51) MAPTHSP90AB1KDM4ELMNAPDGFRB
SCHEMBL4976981 0.85 MAPT (0.51) MAPTHSP90AB1KDM4EPOLBLMNA
SCHEMBL4980672 0.85 ALDH1A1 (0.51) MAPTHSP90AB1KDM4ELMNAPDGFRB
SCHEMBL4976800 0.85 MAPT (0.43) MAPTHSP90AB1TSHR

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 MAPT 2301/4885HSP90AB1 2652/4885KDM4E 1865/4885

“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.