SCHEMBL4215098

SCHEMBL4215098

COc1ccc(CO)c(C(C)CO)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.38
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
NNMT P40261 1/20 0.33
MTNR1A P48039 5/20 0.32
MTNR1B P49286 5/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TXNRD1 Q16881 2/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL7899408 0.74 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6408365 0.73 POLB (0.50) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL14032509 0.73 NNMT (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL15668956 0.72 KDM4E (0.37) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL30030651 0.72 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL20565330 0.72 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL21383732 0.72 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL30486603 0.72 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4015307 0.69 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL20738687 0.69 CYP3A4 (0.41) ABCB11

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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A ABCB11 1688/4885PDE4A 701/4885PDE4B 800/4885

“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.