SCHEMBL5585671

SCHEMBL5585671

CC(C)N(C)CCOc1ncccc1OCCO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
HTR7 P34969 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE5A O76074 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SYK P43405 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
SLC6A9 P48067 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5585853 0.88 CHRNB2 (0.49) SLC6A2HTR7PDE5ACHRNB2CHRNA4
SCHEMBL238407 0.86 HTR7 (0.53) SLC6A2HTR7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6892986 0.84 SLC6A2 (0.40) SLC6A2HTR7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5585616 0.82 KDM4E (0.47) SLC6A2HTR7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5586046 0.81 KDM4E (0.52) SLC6A2HTR7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL236730 0.76 SLC6A2 (0.47) SLC6A2ALDH1A1KDM4ESMN1; SMN2PDE5A
SCHEMBL5585335 0.75 SLC6A2 (0.42) SLC6A2HTR7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4318642 0.75 CHRNB4 (0.48) SLC6A2ALDH1A1SMN1; SMN2PDE5AHSD17B10
SCHEMBL5585621 0.74 SLC6A2 (0.62) SLC6A2ALDH1A1KDM4EPDE5ACHRNB2
SCHEMBL26724558 0.70 LMNA (0.60) ALDH1A1KDM4ESMN1; SMN2

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 23/4885HTR7 15/4885ALDH1A1 445/4885

“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.