SCHEMBL3556463

SCHEMBL3556463

O=C(O)CCCNCc1ccc(N2CCN(c3cccc(C4CCCCC4)c3)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 4/20 0.38
S1PR2 O95136 1/20 0.38
CXCR4 P61073 4/20 0.37
CXCL12 P48061 1/20 0.37
KMO O15229 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP4 P27487 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
METAP2 P50579 1/20 0.35
PRMT1 Q99873 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.94 S1PR1 (0.41) S1PR1S1PR3KMOMAPTHPGD
SCHEMBL3555846 0.86 RECQL (0.41) KMOMAPTHPGDMETAP2NPC1
SCHEMBL3553651 0.85 FFAR4 (0.43) S1PR1S1PR3KMOPRMT1NPC1
SCHEMBL14423045 0.84 HPGD (0.39) S1PR1KMOMAPTHPGDALDH1A1
SCHEMBL3559574 0.82 OPRM1 (0.37) KMOMAPTHPGDOPRM1OPRD1
SCHEMBL3560507 0.82 DRD2 (0.34) CXCR4CXCL12MAPTHPGDOPRM1
SCHEMBL3557933 0.81 KMO (0.37) S1PR1KMOOPRM1OPRD1PRMT1
SCHEMBL3561277 0.80 KMO (0.37) KMOMAPTHPGDCD274PRMT1
SCHEMBL3555262 0.79 HDAC4 (0.42) KMOPRMT1NPC1RAB9A
SCHEMBL3559592 0.79 DRD2 (0.40) SIGMAR1

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 1/4885S1PR3 4/4885S1PR2 2/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885S1PR2 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.