SCHEMBL3553983

SCHEMBL3553983

NC1(C(=O)O)CN(Cc2ccc(N3CCN(c4cccc(C5CCCCC5)c4)C3=O)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.40
F2 P00734 6/20 0.40
DRD2 P14416 5/20 0.40
PRSS1 P07477 3/20 0.39
S1PR1 P21453 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KMO O15229 1/20 0.37
DRD3 P35462 2/20 0.37
KCNH2 Q12809 2/20 0.37
PRMT1 Q99873 1/20 0.36
CACNA2D1 P54289 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
HPN P05981 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HGFAC Q04756 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL3550914 0.90 F10 (0.39) F10F2DRD2PRSS1S1PR1
SCHEMBL3555932 0.83 S1PR1 (0.46) F10F2DRD2PRSS1S1PR1
SCHEMBL3552779 0.83 S1PR1 (0.55) DRD2S1PR1DRD3KCNH2
SCHEMBL3556272 0.82 S1PR1 (0.48) F10F2DRD2S1PR1
SCHEMBL3555262 0.79 HDAC4 (0.42) F10F2DRD2PRSS1KMO
SCHEMBL3553651 0.79 FFAR4 (0.43) S1PR1HRH3KMOPRMT1HDAC4
SCHEMBL13006961 0.77 DRD2 (0.42) F10F2DRD2PRSS1KMO
SCHEMBL3554123 0.75 S1PR1 (0.41) S1PR1KMOPRMT1
SCHEMBL3559592 0.75 DRD2 (0.40) DRD2DRD3KCNH2
SCHEMBL3559574 0.75 OPRM1 (0.37) F10F2DRD2PRSS1KMO

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 F10 3929/4885F2 3465/4885DRD2 1499/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 F10 3929/4885F2 3465/4885DRD2 1499/4885

“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.