SCHEMBL451484

SCHEMBL451484

OCC1CCCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
HRH3 Q9Y5N1 7/20 0.48
S1PR5 Q9H228 2/20 0.46
LTA4H P09960 2/20 0.45
BCHE P06276 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL449197 0.88 ALDH1A1 (0.56) HRH3S1PR5LTA4HHTT
SCHEMBL451673 0.88 LTA4H (0.55) HRH3LTA4HBCHESLC6A2SLC6A4
SCHEMBL448521 0.86 HRH3 (0.66) HRH3
SCHEMBL450172 0.84 HRH3 (0.57) HRH3LTA4HACHE
SCHEMBL450171 0.84 HRH3 (0.54) HRH3LTA4H
SCHEMBL451853 0.84 S1PR5 (0.55) HRH3S1PR5LTA4H
SCHEMBL451101 0.84 LTA4H (0.55) CYP2D6HRH3LTA4HSLC6A2SLC6A4
SCHEMBL454069 0.84 LTA4H (0.55) CYP2D6HRH3LTA4HSLC6A2SLC6A4
SCHEMBL453604 0.83 HRH3 (0.60) HRH3LTA4HACHE
SCHEMBL451150 0.83 HRH3 (0.60) HRH3LTA4HACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP 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 (2 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA CYP2D6 737/4885HRH3 107/4885S1PR5 5/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 CYP2D6 859/4885HRH3 94/4885S1PR5 5/4885

“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.