SCHEMBL451644

SCHEMBL451644

N#Cc1ccc(CN(CCO)Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.44
NAAA Q02083 1/20 0.43
HTT P42858 1/20 0.42
FFAR1 O14842 1/20 0.42
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
SNCA P37840 1/20 0.40
KCNA5 P22460 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MAOA P21397 1/20 0.39
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
SCHEMBL450429 0.93 FFAR1 (0.43) BCHENAAAFFAR1S1PR1S1PR3
SCHEMBL451613 0.92 HTT (0.49) BCHEHTTFFAR1S1PR1S1PR3
SCHEMBL448483 0.89 LTA4H (0.53) BCHEHTTFFAR1S1PR1CYSLTR1
SCHEMBL447970 0.88 BCHE (0.52) BCHEHTTFFAR1S1PR1S1PR3
SCHEMBL451774 0.88 BCHE (0.54) BCHE
SCHEMBL449317 0.88 BCHE (0.54) BCHE
SCHEMBL451860 0.88 TSHR (0.49) BCHEHTTFFAR1S1PR1S1PR3
SCHEMBL452358 0.87 TDP1 (0.49) BCHEHTTMAOAMAOB
SCHEMBL451372 0.87 HTT (0.50) BCHEHTTFFAR1S1PR1S1PR3
SCHEMBL449531 0.86 KCNA5 (0.47) BCHEHTTKCNA5CYSLTR1

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 BCHE 3683/4885NAAA 2836/4885HTT 4875/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 BCHE 3570/4885NAAA 2902/4885HTT 4874/4885

“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.