SCHEMBL3553645

SCHEMBL3553645

O=C(O)C1CN(Cc2nc3cc(N4CCN(c5cccc(C6CCCCC6)c5)C4=O)cnc3o2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.46
S1PR5 Q9H228 4/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR4 O95977 3/20 0.40
CACNA2D1 P54289 5/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
SLC6A2 P23975 2/20 0.35
KMO O15229 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3552027 0.86 S1PR1 (0.46) S1PR1S1PR5S1PR3S1PR4CACNA2D1
SCHEMBL3559264 0.82 S1PR1 (0.42) S1PR1S1PR5S1PR3S1PR4CACNA2D1
SCHEMBL3561840 0.82 S1PR1 (0.46) S1PR1S1PR5S1PR3S1PR4CACNA2D1
SCHEMBL3560054 0.81 S1PR1 (0.45) S1PR1S1PR5S1PR3S1PR4CACNA2D1
SCHEMBL3561557 0.78 S1PR1 (0.44) S1PR1S1PR5S1PR3S1PR4CACNA2D1
SCHEMBL3554644 0.78 S1PR1 (0.53) S1PR1S1PR5S1PR3S1PR4CACNA2D1
SCHEMBL3560455 0.78 S1PR1 (0.54) S1PR1S1PR5S1PR3S1PR4KMO
SCHEMBL3552779 0.78 S1PR1 (0.55) S1PR1S1PR5S1PR3S1PR4DRD2
SCHEMBL3559168 0.78 S1PR1 (0.44) S1PR1S1PR5S1PR3S1PR4DRD3
SCHEMBL3553509 0.75 S1PR1 (0.46) S1PR1S1PR5S1PR3S1PR4PDCD1

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 12 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
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

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 3/4885S1PR3 4/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885S1PR3 4/4885

“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.