SCHEMBL4978707

SCHEMBL4978707

COc1ccccc1C(C)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SLC2A1 P11166 2/20 0.42
SLC2A2 P11168 2/20 0.42
SLC2A3 P11169 2/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 4/20 0.40
AURKA O14965 1/20 0.40
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
HTT P42858 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4981926 0.93 SMN1; SMN2 (0.42) HRH1HRH3SLC2A1SLC2A2SLC2A3
SCHEMBL4980341 0.89 TLR7 (0.41) HRH1HRH3TLR9TLR7ALDH1A1
SCHEMBL4973623 0.89 TLR7 (0.41) HRH1HRH3TLR9TLR7ALDH1A1
SCHEMBL4976119 0.88 HRH3 (0.44) HRH1HRH3TLR9TLR7ALDH1A1
SCHEMBL4980159 0.88 HRH3 (0.44) HRH1HRH3TLR9TLR7ALDH1A1
SCHEMBL4976132 0.85 HRH3 (0.47) HRH1HRH3SLC2A1SLC2A2SLC2A3
SCHEMBL4976272 0.84 HRH1 (0.40) HRH1HRH3TLR9TLR7ALDH1A1
SCHEMBL4979610 0.84 HRH3 (0.52) HRH1HRH3TLR9TLR7ALDH1A1
SCHEMBL4980602 0.82 ALDH1A1 (0.42) HRH1HRH3ALDH1A1LMNAHIF1A
SCHEMBL4978660 0.82 HRH1 (0.42) HRH1HRH3TLR7ALDH1A1LMNA

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 HRH1 4/4885HRH3 1/4885SLC2A1 3087/4885

“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.