SCHEMBL5586046

SCHEMBL5586046

CN(C)CCCCOc1ncccc1OCCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
HTR1B P28222 2/20 0.48
SLC6A2 P23975 1/20 0.44
HTR7 P34969 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MKNK2 Q9HBH9 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HRH1 P35367 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL5585616 0.96 KDM4E (0.47) KDM4EHTR1BSLC6A2HTR7SMN1; SMN2
SCHEMBL238407 0.91 HTR7 (0.53) KDM4EHTR1BSLC6A2HTR7SMN1; SMN2
SCHEMBL5585671 0.81 SLC6A2 (0.46) KDM4ESLC6A2HTR7SMN1; SMN2ALDH1A1
SCHEMBL5585305 0.80 KDM4E (0.46) KDM4EHTR1BHTR7SMN1; SMN2ALDH1A1
SCHEMBL5585853 0.79 CHRNB2 (0.49) SLC6A2HTR7
SCHEMBL236730 0.79 SLC6A2 (0.47) KDM4ESLC6A2SMN1; SMN2ALDH1A1
SCHEMBL5585335 0.77 SLC6A2 (0.42) KDM4ESLC6A2HTR7SMN1; SMN2ALDH1A1
SCHEMBL4318642 0.77 CHRNB4 (0.48) SLC6A2SMN1; SMN2ALDH1A1
SCHEMBL5585621 0.77 SLC6A2 (0.62) KDM4EHTR1BSLC6A2ALDH1A1HRH1
SCHEMBL4954593 0.75 PDE5A (0.49)

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 KDM4E 3125/4885HTR1B 4/4885SLC6A2 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.