SCHEMBL451741

SCHEMBL451741

COC[C@H]1CCCN1Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.48
SPHK2 Q9NRA0 8/20 0.47
SPHK1 Q9NYA1 7/20 0.47
TLR7 Q9NYK1 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HRH3 Q9Y5N1 2/20 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
SCHEMBL451976 1.00 FAAH (0.48) FAAHSPHK2SPHK1TLR7HDAC8
SCHEMBL452456 0.88 SPHK2 (0.61) SPHK2SPHK1
SCHEMBL449569 0.88 SPHK2 (0.61) SPHK2SPHK1
SCHEMBL453900 0.86 SPHK2 (0.47) FAAHSPHK2SPHK1HRH3
SCHEMBL451690 0.86 HRH3 (0.54) HRH3
SCHEMBL453568 0.85 SPHK1 (0.57) SPHK2SPHK1
SCHEMBL447985 0.79 SPHK1 (0.47) SPHK2SPHK1HRH3
SCHEMBL448521 0.78 HRH3 (0.66) HRH3
SCHEMBL450172 0.78 HRH3 (0.57) HRH3
SCHEMBL450171 0.78 HRH3 (0.54) HRH3

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 FAAH 1132/4885SPHK2 22/4885SPHK1 9/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FAAH 1270/4885SPHK2 20/4885SPHK1 11/4885

“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.