SCHEMBL448077

SCHEMBL448077

Cc1ccccc1CN(CCO)Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
BCHE P06276 4/20 0.44
S1PR1 P21453 3/20 0.43
KCNA5 P22460 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYSLTR1 Q9Y271 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL451613 0.90 HTT (0.49) BCHES1PR1KCNA5CYSLTR1S1PR3
SCHEMBL447899 0.89 BCHE (0.46) MTNR1AMTNR1BBCHEKCNA5PPARG
SCHEMBL447970 0.88 BCHE (0.52) BCHES1PR1KCNA5CYSLTR1S1PR3
SCHEMBL448919 0.87 MTNR1A (0.48) MTNR1AMTNR1BBCHEKCNA5PPARG
SCHEMBL452358 0.87 TDP1 (0.49) BCHEHTTMAOB
SCHEMBL449317 0.86 BCHE (0.54) BCHEPPARGPPARA
SCHEMBL451774 0.86 BCHE (0.54) BCHEPPARGPPARA
SCHEMBL451818 0.85 BCHE (0.62) BCHEKCNA5MAOB
SCHEMBL451860 0.85 TSHR (0.49) BCHES1PR1KCNA5PPARGPPARA
SCHEMBL450630 0.85 ACHE (0.46) MTNR1BBCHES1PR1MAOB

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 MTNR1A 219/4885MTNR1B 311/4885BCHE 3683/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 MTNR1A 207/4885MTNR1B 261/4885BCHE 3570/4885

“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.