SCHEMBL5585853

SCHEMBL5585853

CC(C)N(CCOc1ncccc1OCCO)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC6A2 P23975 1/20 0.46
LTA4H P09960 1/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
MCHR1 Q99705 9/20 0.38
ACHE P22303 1/20 0.38
PTPN1 P18031 1/20 0.37
HTR2C P28335 1/20 0.37
PDE5A O76074 1/20 0.37
HTR7 P34969 1/20 0.36

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
SCHEMBL5585671 0.88 SLC6A2 (0.46) CHRNB2CHRNA4SLC6A2PDE5AHTR7
SCHEMBL238407 0.84 HTR7 (0.53) CHRNB2CHRNA4SLC6A2HTR7
SCHEMBL5585706 0.81 LTA4H (0.50) CHRNB2CHRNA4LTA4HMCHR1PDE5A
SCHEMBL5585616 0.80 KDM4E (0.47) SLC6A2HTR7
SCHEMBL5586046 0.79 KDM4E (0.52) SLC6A2HTR7
SCHEMBL236730 0.77 SLC6A2 (0.47) SLC6A2PDE5A
SCHEMBL4318642 0.76 CHRNB4 (0.48) SLC6A2PDE5A
SCHEMBL5585621 0.75 SLC6A2 (0.62) CHRNB2CHRNA4SLC6A2PDE5A
SCHEMBL5585335 0.73 SLC6A2 (0.42) SLC6A2PDE5AHTR7
SCHEMBL6892986 0.71 SLC6A2 (0.40) CHRNB2CHRNA4SLC6A2HTR7

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-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A CHRNB2 121/4885CHRNA4 128/4885SLC6A2 23/4885

“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.