SCHEMBL4974609

SCHEMBL4974609

O=C(Cc1ccc(Oc2ccccc2)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HRH3 Q9Y5N1 6/20 0.46
KDM2B Q8NHM5 1/20 0.41
PTPN11 Q06124 1/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
ACHE P22303 1/20 0.39
HSP90AB1 P08238 2/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 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
SCHEMBL4980312 0.93 KDM4E (0.46) KDM4EALDH1A1HRH3PTPN11TMEM97
SCHEMBL4976061 0.92 KDM4E (0.57) KDM4EALDH1A1HRH3PTPN11TMEM97
SCHEMBL4976190 0.92 KDM4E (0.49) KDM4EALDH1A1HRH3PTPN11TMEM97
SCHEMBL4978329 0.91 KDM4E (0.51) KDM4EALDH1A1HRH3KDM2BPTPN11
SCHEMBL4979742 0.90 ALDH1A1 (0.48) KDM4EALDH1A1HRH3KDM2BHSP90AB1
SCHEMBL4974962 0.88 KDM4E (0.41) KDM4EALDH1A1HRH3PTPN11TMEM97
SCHEMBL4980761 0.88 KDM4E (0.45) KDM4EALDH1A1HRH3KDM2BPTPN11
SCHEMBL4976016 0.87 PANK3 (0.45) KDM4EALDH1A1HRH3KCNH2GPR119
SCHEMBL4976026 0.87 HRH3 (0.54) KDM4EALDH1A1HRH3KDM2BHSP90AB1
SCHEMBL4977925 0.87 HSP90AB1 (0.48) KDM4EALDH1A1HRH3HSP90AB1L3MBTL1

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 1142/4885HRH3 1/4885

“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.