SCHEMBL450848

SCHEMBL450848

O=C(C=Cc1ccc(OCCCCc2ccccc2)cc1)N1CCC[C@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
S1PR1 P21453 5/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR3 Q99500 2/20 0.48
POLB P06746 1/20 0.46
APP P05067 2/20 0.46
SPHK2 Q9NRA0 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 3/20 0.44
KCNH2 Q12809 1/20 0.44
FFAR1 O14842 1/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL450847 1.00 HRH3 (0.52) HRH3S1PR1MEN1KMT2AS1PR3
SCHEMBL7293144 0.86 APP (0.51) HRH3S1PR1MEN1KMT2AS1PR3
SCHEMBL7293139 0.86 APP (0.51) HRH3S1PR1MEN1KMT2AS1PR3
SCHEMBL7284483 0.84 S1PR1 (0.48) HRH3S1PR1MEN1KMT2AS1PR3
SCHEMBL7284489 0.84 S1PR1 (0.48) HRH3S1PR1MEN1KMT2AS1PR3
SCHEMBL9763203 0.81 APP (0.51) S1PR1MEN1KMT2AS1PR3APP
SCHEMBL15473519 0.81 FFAR1 (0.55) S1PR1MEN1KMT2AS1PR3POLB
SCHEMBL15473538 0.81 FFAR1 (0.55) S1PR1MEN1KMT2AS1PR3POLB
SCHEMBL8994528 0.80 S1PR1 (0.47) S1PR1MEN1KMT2AS1PR3APP
SCHEMBL7370241 0.77 S1PR1 (0.48) S1PR1MEN1KMT2AS1PR3BCHE

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 5 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

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 HRH3 107/4885S1PR1 1/4885MEN1 1245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 HRH3 94/4885S1PR1 1/4885MEN1 1153/4885

“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.