SCHEMBL453701

SCHEMBL453701

COc1ccc(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 3/20 0.42
S1PR1 P21453 1/20 0.42
HCRTR2 O43614 5/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL450630 0.90 ACHE (0.46) ACHEL3MBTL1BCHES1PR1MAOA
SCHEMBL447914 0.89 ALDH1A1 (0.52) ACHEL3MBTL1BCHES1PR1MAOA
SCHEMBL448608 0.86 NR1H3 (0.50) ACHEL3MBTL1BCHES1PR1HCRTR2
SCHEMBL448919 0.86 MTNR1A (0.48) BCHEMTNR1AMTNR1B
SCHEMBL452358 0.86 TDP1 (0.49) L3MBTL1BCHEMAOAMAOBALDH1A1
SCHEMBL448844 0.86 BCHE (0.51) BCHE
SCHEMBL448898 0.85 MEN1 (0.53) ACHEL3MBTL1BCHEKDM4EMTNR1A
SCHEMBL453756 0.85 L3MBTL1 (0.45) ACHEL3MBTL1BCHES1PR1HCRTR2
SCHEMBL450745 0.85 ACHE (0.43) ACHEL3MBTL1BCHES1PR1HCRTR2
SCHEMBL451613 0.84 HTT (0.49) BCHES1PR1MAOB

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 ACHE 4249/4885L3MBTL1 1953/4885BCHE 3683/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ACHE 4142/4885L3MBTL1 2190/4885BCHE 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.