SCHEMBL4091350

SCHEMBL4091350

c1ccc2c3c([nH]c2c1)C(C1CCOCC1)CCC3

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 1/20 0.57
RB1 P06400 7/20 0.51
SIRT1 Q96EB6 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SSTR3 P32745 4/20 0.43
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
HTR7 P34969 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3687747 0.77 MAPKAPK2 (0.52) SIRT1SIRT2
SCHEMBL3805259 0.77 HTR2A (0.68) SSTR3KCNH2CACNA1FCACNA1DCACNA1S
SCHEMBL1871473 0.73 BRD3 (0.67) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL7088610 0.73 BRD3 (0.67) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL20960591 0.73 BRD3 (0.67) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL1877922 0.73 BRD3 (0.67) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL29625801 0.73 BRD3 (0.67) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL10924730 0.73 BRD3 (1.00) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL9665012 0.72 BRD3 (0.65) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL9610870 0.72 BRD3 (0.65) BRD3RB1SIRT1SIRT2ADRA1D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 BRD3 4357/4885RB1 914/4885SIRT1 4021/4885

“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.