SCHEMBL4979945

SCHEMBL4979945

CNC(=O)c1ccc(N2CCc3nc(N4CCN(C5CCC5)CC4)ncc3C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.49
HDAC1 Q13547 1/20 0.42
HSP90AB1 P08238 2/20 0.41
PTPN11 Q06124 1/20 0.41
HRH1 P35367 1/20 0.39
SCN9A Q15858 1/20 0.39
PARP1 P09874 1/20 0.39
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 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
SCHEMBL4976874 0.94 HRH3 (0.51) HRH3HDAC1PTPN11HRH1SCN9A
SCHEMBL4978957 0.91 HRH3 (0.54) HRH3HDAC1PTPN11HRH1SCN9A
SCHEMBL4979338 0.90 HRH3 (0.53) HRH3HDAC1HSP90AB1PTPN11TLR4
SCHEMBL4980370 0.87 HRH3 (0.40) HRH3HDAC1HSP90AB1PARP1
SCHEMBL4976880 0.83 HRH3 (0.56) HRH3HDAC1HSP90AB1PTPN11TLR4
SCHEMBL14273447 0.81 MEN1 (0.40) TLR4TLR9TLR8TLR7
SCHEMBL4976991 0.81 MEN1 (0.47) HRH3HSP90AB1PTPN11TLR4TLR9
SCHEMBL4980291 0.76 HSP90AA1 (0.55) HSP90AB1TLR4TLR9TLR8TLR7
SCHEMBL4981409 0.76 MEN1 (0.51) HRH3HSP90AB1PTPN11TLR4TLR9
SCHEMBL4980361 0.75 MAPT (0.45) HSP90AB1TLR4TLR9TLR8TLR7

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 HRH3 1/4885HDAC1 1356/4885HSP90AB1 2652/4885

“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.