SCHEMBL4978679

SCHEMBL4978679

CCSc1ncccc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HSP90AA1 P07900 6/20 0.41
MAPT P10636 3/20 0.41
PTPN11 Q06124 1/20 0.40
LMNA P02545 2/20 0.38
HSD11B1 P28845 1/20 0.38
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TP53 P04637 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL4978054 0.94 HSD11B1 (0.46) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4974632 0.91 KMT2A (0.46) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4985760 0.90 HSP90AB1 (0.42) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL14346865 0.89 HSP90AB1 (0.42) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4981497 0.87 HRH3 (0.45) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4980539 0.86 HSP90AB1 (0.48) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4980440 0.86 KDM4E (0.49) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4978732 0.85 HSP90AB1 (0.51) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4980588 0.85 HSP90AB1 (0.45) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4978229 0.85 HSP90AB1 (0.50) HSP90AB1HCRTR1HCRTR2MAPTLMNA

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 HSP90AB1 2652/4885HCRTR1 198/4885HCRTR2 161/4885

“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.