SCHEMBL451855

SCHEMBL451855

CC(=O)N(C)C1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.48
LTA4H P09960 3/20 0.48
MCHR1 Q99705 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
S1PR5 Q9H228 3/20 0.46
S1PR1 P21453 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL449244 0.90 S1PR5 (0.46) UTS2RS1PR5KDM4EMEN1KMT2A
SCHEMBL454300 0.89 HRH3 (0.47) CCR3MCHR1UTS2RS1PR5
SCHEMBL454337 0.89 HRH3 (0.47) CCR3MCHR1UTS2RS1PR5
SCHEMBL454043 0.85 HRH3 (0.45) S1PR5KDM4EMEN1KMT2A
SCHEMBL452074 0.83 LTA4H (0.60) CCR3LTA4HMCHR1UTS2R
SCHEMBL447896 0.83 LTA4H (0.60) CCR3LTA4HMCHR1UTS2R
SCHEMBL450211 0.83 LTA4H (0.60) CCR3LTA4HMCHR1UTS2R
SCHEMBL451101 0.82 LTA4H (0.55) LTA4HMCHR1MEN1KMT2A
SCHEMBL454069 0.82 LTA4H (0.55) LTA4HMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL948223 0.80 S1PR5 (0.61) LTA4HMCHR1S1PR5S1PR1

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 CCR3 97/4885LTA4H 424/4885MCHR1 335/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 CCR3 111/4885LTA4H 462/4885MCHR1 286/4885

“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.