SCHEMBL447709

SCHEMBL447709

NC(=O)[C@H]1CCCN1C(=O)CCc1ccc(OCCCCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.54
DPP4 P27487 3/20 0.51
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
F2 P00734 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACE P12821 1/20 0.48
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
FKBP1A P62942 1/20 0.47
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46

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
SCHEMBL451752 1.00 FFAR1 (0.54) FFAR1DPP4SPHK2SPHK1F2
SCHEMBL449093 0.92 DPP4 (0.58) DPP4F2MEN1KMT2AACE
SCHEMBL449189 0.87 FFAR1 (0.51) FFAR1F2KDM4EMEN1KMT2A
SCHEMBL15473519 0.84 FFAR1 (0.55) FFAR1SPHK2KDM4EMEN1KMT2A
SCHEMBL15473538 0.84 FFAR1 (0.55) FFAR1SPHK2KDM4EMEN1KMT2A
SCHEMBL31324093 0.84 DPP4 (0.58) DPP4SPHK2SPHK1MEN1KMT2A
SCHEMBL451158 0.82 NPC1 (0.53) FFAR1KDM4EMEN1KMT2AS1PR1
SCHEMBL3891727 0.79 DPP4 (0.55) DPP4SPHK2SPHK1F2ACE
SCHEMBL453814 0.79 NPC1 (0.68) FFAR1MEN1KMT2AS1PR1S1PR3
SCHEMBL31324104 0.78 PREP (0.58) DPP4ACEFKBP1AHTR1AHTR7

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 FFAR1 50/4885DPP4 3775/4885SPHK2 22/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885DPP4 3745/4885SPHK2 20/4885

“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.