SCHEMBL5585335

SCHEMBL5585335

CN(C)C(C)(C)COc1ncccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SSTR4 P31391 6/20 0.38
PDE5A O76074 1/20 0.38
SSTR1 P30872 2/20 0.34
HTR7 P34969 2/20 0.34
SYK P43405 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 1/20 0.33
DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL238407 0.79 HTR7 (0.53) SLC6A2HTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL236730 0.79 SLC6A2 (0.47) SLC6A2SSTR4PDE5AKDM4EALDH1A1
SCHEMBL5585616 0.78 KDM4E (0.47) SLC6A2HTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL5586046 0.77 KDM4E (0.52) SLC6A2HTR7KDM4EALDH1A1SMN1; SMN2
SCHEMBL4318642 0.77 CHRNB4 (0.48) SLC6A2PDE5AALDH1A1SMN1; SMN2CYP11B1
SCHEMBL5585671 0.75 SLC6A2 (0.46) SLC6A2PDE5AHTR7SYKKDM4E
SCHEMBL5585621 0.74 SLC6A2 (0.62) SLC6A2PDE5AKDM4EALDH1A1
SCHEMBL5585853 0.73 CHRNB2 (0.49) SLC6A2PDE5AHTR7
SCHEMBL4307757 0.70 CHRNB2 (0.46) SLC6A2PDE5AKDM4EALDH1A1IDO1
SCHEMBL23344983 0.69 SLC6A2 (0.41) SLC6A2KDM4EALDH1A1

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 SLC6A2 23/4885SSTR4 241/4885PDE5A 205/4885

“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.