SCHEMBL4976880

SCHEMBL4976880

CC(=O)c1ccc(N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.56
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HSP90AB1 P08238 2/20 0.39
ADRA1A P35348 1/20 0.39
PTPN11 Q06124 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL4979338 0.93 HRH3 (0.53) HRH3TLR4TLR9TLR8TLR7
SCHEMBL4976874 0.90 HRH3 (0.51) HRH3TLR4TLR9TLR8TLR7
SCHEMBL4981409 0.88 MEN1 (0.51) HRH3TLR4TLR9TLR8TLR7
SCHEMBL4978957 0.87 HRH3 (0.54) HRH3ADRA1APTPN11HDAC1
SCHEMBL4976991 0.83 MEN1 (0.47) HRH3TLR4TLR9TLR8TLR7
SCHEMBL4979945 0.83 HRH3 (0.49) HRH3TLR4TLR9TLR8TLR7
SCHEMBL4974517 0.81 HSP90AB1 (0.47) HRH3HSP90AB1ADRA1A
SCHEMBL6117792 0.80 HRH3 (0.66) HRH3MAPTSMN1; SMN2ADRA1A
SCHEMBL4979788 0.80 TLR4 (0.45) HRH3TLR4TLR9TLR8TLR7
SCHEMBL4979058 0.80 KDM2B (0.53) HRH3HSP90AB1

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 1/4885TLR4 721/4885TLR9 653/4885

“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.