SCHEMBL948866

SCHEMBL948866

O=C(CCNCCCc1cccc(OCCOc2ccccc2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
S1PR1 P21453 4/20 0.53
S1PR3 Q99500 2/20 0.53
S1PR5 Q9H228 1/20 0.51
LTA4H P09960 5/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KCNH2 Q12809 2/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL949627 0.96 S1PR1 (0.56) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL948010 0.95 S1PR1 (0.56) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL947963 0.95 DRD2 (0.52) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL947845 0.94 S1PR1 (0.57) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL947369 0.94 S1PR1 (0.57) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL947295 0.94 S1PR1 (0.57) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL950424 0.94 S1PR1 (0.57) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL948081 0.94 S1PR1 (0.57) DRD2DRD4DRD3S1PR1S1PR3
SCHEMBL947190 0.94 GAA (0.50) LTA4HGAAKCNH2MEN1KMT2A
SCHEMBL950038 0.92 BCHE (0.55) DRD2DRD4DRD3S1PR1S1PR3

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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (3 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 DRD2 1052/4885DRD4 1888/4885DRD3 722/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 DRD2 1096/4885DRD4 1566/4885DRD3 685/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 DRD2 1096/4885DRD4 1566/4885DRD3 685/4885

“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.