SCHEMBL4975207

SCHEMBL4975207

c1ccc(CN2CCc3c(ncnc3N3CCN(CCN4CCCCC4)CC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
BRS3 P32247 8/20 0.48
ABCC1 P33527 3/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
RECQL P46063 2/20 0.46
CFTR P13569 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.43
ABCB1 P08183 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4982036 0.96 HRH3 (0.53) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL4976824 0.94 HRH3 (0.51) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL5880441 0.86 BRS3 (0.53) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL14273295 0.85 HRH3 (0.46) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL4973617 0.85 HRH3 (0.46) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL4071423 0.84 HRH1 (0.46) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL4981995 0.84 HRH1 (0.49) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL4976697 0.83 BRS3 (0.46) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL4978504 0.83 BRS3 (0.43) ALDH1A1HPGDKDM4EHIF1ANPSR1
SCHEMBL4976382 0.82 CFTR (0.47) ALDH1A1HPGDNPSR1HRH3BRS3

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 ALDH1A1 1142/4885HPGD 159/4885KDM4E 1865/4885

“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.