SCHEMBL948422

SCHEMBL948422

O=C(CCNCc1cccc(OCCCCCc2ccccc2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
S1PR1 P21453 8/20 0.49
S1PR3 Q99500 5/20 0.49
S1PR5 Q9H228 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 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
SCHEMBL947383 1.00 BCHE (0.50) BCHES1PR1S1PR3S1PR5KDM4E
SCHEMBL948804 1.00 BCHE (0.50) BCHES1PR1S1PR3S1PR5KDM4E
SCHEMBL951058 1.00 BCHE (0.50) BCHES1PR1S1PR3S1PR5KDM4E
SCHEMBL949599 1.00 BCHE (0.50) BCHES1PR1S1PR3S1PR5KDM4E
SCHEMBL949968 0.99 BCHE (0.51) BCHES1PR1S1PR3S1PR5KDM4E
SCHEMBL950825 0.96 BCHE (0.52) BCHES1PR1S1PR3S1PR5KDM4E
SCHEMBL949481 0.93 BCHE (0.49) BCHEKDM4EMAPK1DRD2DRD4
SCHEMBL949057 0.92 S1PR1 (0.52) S1PR1S1PR3S1PR5DRD2DRD4
SCHEMBL948652 0.92 S1PR1 (0.52) S1PR1S1PR3S1PR5DRD2DRD4
SCHEMBL947295 0.92 S1PR1 (0.57) BCHES1PR1S1PR3S1PR5KDM4E

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
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
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 (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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 BCHE 2952/4885S1PR1 1/4885S1PR3 3/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 BCHE 3117/4885S1PR1 1/4885S1PR3 2/4885

“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.