SCHEMBL4978233

SCHEMBL4978233

COc1cccc(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
SIGMAR1 Q99720 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ABCB1 P08183 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL4976620 0.94 KDM4E (0.46) KDM4EALDH1A1TLR9TLR7SIGMAR1
SCHEMBL4979732 0.92 KMT2A (0.45) ALDH1A1TLR9TLR7SIGMAR1MEN1
SCHEMBL4976167 0.85 KMT2A (0.46) ALDH1A1TLR9TLR7SIGMAR1MEN1
SCHEMBL4976199 0.84 HSP90AB1 (0.47) KDM4ETLR9TLR7MAPTTSHR
SCHEMBL14273308 0.84 KDM4E (0.46) KDM4EALDH1A1TLR9TLR7MEN1
SCHEMBL4980343 0.82 HRH1 (0.39) KDM4EALDH1A1TLR9TLR7MEN1
SCHEMBL4979833 0.82 TP53 (0.45) KDM4EALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL4979743 0.82 HRH1 (0.43) KDM4EALDH1A1TLR7MEN1KMT2A
SCHEMBL4981926 0.80 SMN1; SMN2 (0.42) KDM4EALDH1A1TLR9TLR7SIGMAR1
SCHEMBL4071423 0.79 HRH1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT

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 KDM4E 1865/4885ALDH1A1 1142/4885TLR9 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.