SCHEMBL454055

SCHEMBL454055

CCCNCc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
BCHE P06276 5/20 0.51
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 1/20 0.49
S1PR5 Q9H228 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KDM4E B2RXH2 1/20 0.47
P4HB P07237 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC2A1 P11166 1/20 0.46

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
SCHEMBL450711 0.90 PPARG (0.52) PPARGCNR1CNR2BCHES1PR1
SCHEMBL451344 0.88 PPARG (0.56) PPARGCNR1CNR2BCHES1PR1
SCHEMBL15890904 0.85 S1PR1 (0.71) PPARGS1PR1S1PR3S1PR5
SCHEMBL949121 0.85 L3MBTL1 (0.50) PPARGS1PR1S1PR3S1PR5SIGMAR1
Hydrochloric Acid SCHEMBL948350 0.84 S1PR1 (0.69) PPARGS1PR1S1PR3S1PR5
SCHEMBL15890895 0.83 S1PR1 (0.70) PPARGS1PR1S1PR3S1PR5
SCHEMBL14197926 0.83 BCHE (0.67) CNR1CNR2BCHEKDM4E
Hydrochloric Acid SCHEMBL5722062 0.82 S1PR1 (0.69) PPARGS1PR1S1PR3S1PR5
SCHEMBL451148 0.81 SIGMAR1 (0.47) PPARGBCHES1PR1S1PR3S1PR5
SCHEMBL947719 0.80 S1PR1 (0.70) PPARGS1PR1S1PR3S1PR5

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 PPARG 2164/4885CNR1 14/4885CNR2 44/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 PPARG 2217/4885CNR1 13/4885CNR2 26/4885

“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.