SCHEMBL3559574

SCHEMBL3559574

NC(CNCc1ccc(N2CCN(c3cccc(C4CCCCC4)c3)C2=O)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
KMO O15229 1/20 0.37
KIF11 P52732 1/20 0.36
NAAA Q02083 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
P2RX3 P56373 2/20 0.35
F10 P00742 2/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
PRMT1 Q99873 1/20 0.34
NOTUM Q6P988 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
BCL9 O00512 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
SCHEMBL3554123 0.84 S1PR1 (0.41) OPRM1OPRK1OPRD1KMONAAA
SCHEMBL3556463 0.82 S1PR1 (0.38) OPRM1OPRK1OPRD1KMOMAPT
SCHEMBL3561277 0.81 KMO (0.37) KMONAAAMAPTHPGDP2RX3
SCHEMBL3560507 0.79 DRD2 (0.34) OPRM1OPRK1OPRD1MAPTHPGD
SCHEMBL3555846 0.79 RECQL (0.41) KMOMAPTHPGD
SCHEMBL13006961 0.79 DRD2 (0.42) KMOF10F2PRSS1DRD2
SCHEMBL3555262 0.79 HDAC4 (0.42) KMONAAAF10F2PRSS1
SCHEMBL3553651 0.78 FFAR4 (0.43) KMOPRMT1HDAC4HDAC2HDAC8
SCHEMBL14423045 0.78 HPGD (0.39) KMONAAAMAPTHPGDPRMT1
SCHEMBL3551948 0.75 KMO (0.43) KMOMAPTHPGDF10F2

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 OPRM1 825/4885OPRK1 462/4885OPRD1 660/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 OPRM1 825/4885OPRK1 462/4885OPRD1 660/4885

“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.