SCHEMBL4980341

SCHEMBL4980341

COc1ccc(OC)c(C(C)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.41
TLR9 Q9NR96 4/20 0.41
TSHR P16473 6/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HRH1 P35367 1/20 0.37
LRRK2 Q5S007 1/20 0.37
TLR8 Q9NR97 2/20 0.36
AURKA O14965 1/20 0.36
MTNR1B P49286 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL4973623 0.93 TLR7 (0.41) TLR7TLR9TSHRALDH1A1NPSR1
SCHEMBL4978707 0.89 HRH1 (0.43) TLR7TLR9TSHRALDH1A1MEN1
SCHEMBL4981926 0.86 SMN1; SMN2 (0.42) TLR7TLR9TSHRALDH1A1NPSR1
SCHEMBL4976119 0.81 HRH3 (0.44) TLR7TLR9TSHRALDH1A1NPSR1
SCHEMBL4980159 0.81 HRH3 (0.44) TLR7TLR9TSHRALDH1A1NPSR1
SCHEMBL4980652 0.80 CCR4 (0.42) TLR7TLR9ALDH1A1NPSR1MEN1
SCHEMBL4976199 0.80 HSP90AB1 (0.47) TLR7TLR9TSHRMAPT
SCHEMBL4976272 0.79 HRH1 (0.40) TLR7TLR9TSHRALDH1A1NPSR1
SCHEMBL4978660 0.79 HRH1 (0.42) TLR7ALDH1A1NPSR1MEN1KMT2A
SCHEMBL4976132 0.79 HRH3 (0.47) TLR7ALDH1A1NPSR1MEN1KMT2A

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 TLR7 799/4885TLR9 653/4885TSHR 223/4885

“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.