SCHEMBL451148

SCHEMBL451148

CC(C)NCc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
FFAR1 O14842 1/20 0.45
PPARG P37231 1/20 0.45
S1PR1 P21453 2/20 0.44
SLC2A1 P11166 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
BCHE P06276 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL949121 0.86 L3MBTL1 (0.50) SIGMAR1MTNR1AMTNR1BFFAR1PPARG
SCHEMBL450711 0.84 PPARG (0.52) MTNR1AMTNR1BFFAR1PPARGS1PR1
SCHEMBL6511727 0.83 ITGB3 (0.48) MTNR1AMTNR1BFFAR1PPARGS1PR1
SCHEMBL454055 0.81 PPARG (0.56) SIGMAR1MTNR1AMTNR1BPPARGS1PR1
SCHEMBL451344 0.79 PPARG (0.56) SIGMAR1MTNR1AMTNR1BFFAR1PPARG
SCHEMBL5722004 0.79 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR5TDP1
SCHEMBL437699 0.78 FFAR1 (0.48) SIGMAR1MTNR1AMTNR1BFFAR1S1PR1
SCHEMBL15890904 0.76 S1PR1 (0.71) FFAR1PPARGS1PR1S1PR3S1PR5
SCHEMBL450901 0.76 BCHE (0.54) BCHE
Hydrochloric Acid SCHEMBL948350 0.75 S1PR1 (0.69) FFAR1PPARGS1PR1S1PR3S1PR5

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 SIGMAR1 291/4885MTNR1A 219/4885MTNR1B 311/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 SIGMAR1 308/4885MTNR1A 207/4885MTNR1B 261/4885

“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.