SCHEMBL949481

SCHEMBL949481

O=C(CCNCc1cccc(OCCc2ccccc2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.49
DRD4 P21917 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
FFAR1 O14842 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL950825 0.95 BCHE (0.52) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL949968 0.94 BCHE (0.51) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL946988 0.93 FFAR1 (0.56) BCHEFFAR1KDM4E
SCHEMBL949599 0.93 BCHE (0.50) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL951058 0.93 BCHE (0.50) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL948804 0.93 BCHE (0.50) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL948422 0.93 BCHE (0.50) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL947383 0.93 BCHE (0.50) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL947153 0.93 DRD4 (0.49) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL946582 0.92 KDM4E (0.44) BCHEDRD4DRD2DRD3ADRA1D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
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 BCHE 2952/4885DRD4 1888/4885DRD2 1052/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 BCHE 3117/4885DRD4 1566/4885DRD2 1096/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 BCHE 3117/4885DRD4 1566/4885DRD2 1096/4885

“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.