SCHEMBL3553509

SCHEMBL3553509

O=C(O)C1CN(Cc2ccc(N3CCN(c4cccc(C5CCCCC5)c4)C3=O)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.46
S1PR5 Q9H228 4/20 0.42
PRKX P51817 1/20 0.42
IKBKE Q14164 1/20 0.42
S1PR3 Q99500 4/20 0.40
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
TSHR P16473 1/20 0.38
S1PR4 O95977 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMO O15229 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3552779 0.87 S1PR1 (0.55) S1PR1S1PR5S1PR3S1PR4DRD2
SCHEMBL3559154 0.85 S1PR1 (0.54) S1PR1S1PR5S1PR3S1PR4KCNH2
SCHEMBL3560054 0.83 S1PR1 (0.45) S1PR1S1PR5S1PR3S1PR4DRD2
SCHEMBL3556272 0.81 S1PR1 (0.48) S1PR1S1PR5S1PR3S1PR4DRD2
SCHEMBL3560455 0.81 S1PR1 (0.54) S1PR1S1PR5S1PR3S1PR4DRD2
SCHEMBL3561840 0.80 S1PR1 (0.46) S1PR1S1PR5S1PR3S1PR4DRD2
SCHEMBL3561557 0.79 S1PR1 (0.44) S1PR1S1PR5S1PR3S1PR4DRD2
SCHEMBL3554644 0.79 S1PR1 (0.53) S1PR1S1PR5S1PR3S1PR4PDCD1
SCHEMBL3559168 0.79 S1PR1 (0.44) S1PR1S1PR5S1PR3S1PR4DRD3
SCHEMBL3558504 0.79 S1PR1 (0.46) S1PR1S1PR5S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US claimed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US claimed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
EP-2010524-A2 S1P RECEPTOR MODULATING COMPOUNDS Epix Delaware, Inc. (US) 2009-01-07 EP disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO 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-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885PRKX 1519/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885PRKX 1519/4885

“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.