SCHEMBL3551948

SCHEMBL3551948

COC(=O)c1ccc(N2CCN(c3cccc(C4CCCCC4)c3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
CTSG P08311 2/20 0.41
CMA1 P23946 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.40
GAA P10253 1/20 0.39
GRM2 Q14416 1/20 0.39
NPC1 O15118 3/20 0.39

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
SCHEMBL3559981 0.87 NPC1 (0.41) KMOSMN1; SMN2ALDH1A1NPSR1DRD2
SCHEMBL13006961 0.81 DRD2 (0.42) KMOF10F2PRSS1DRD2
SCHEMBL13006962 0.80 ALDH1A1 (0.56) F10F2PRSS1SMN1; SMN2ALDH1A1
SCHEMBL3555262 0.79 HDAC4 (0.42) KMOF10F2PRSS1DRD2
SCHEMBL3554080 0.79 CTSG (0.46) F10F2PRSS1SMN1; SMN2ALDH1A1
SCHEMBL14423199 0.79 CTSG (0.46) F10F2PRSS1SMN1; SMN2ALDH1A1
SCHEMBL3551549 0.79 CTSG (0.46) F10F2PRSS1SMN1; SMN2ALDH1A1
SCHEMBL3561594 0.78 DRD2 (0.41) KMOF10F2PRSS1SMN1; SMN2
SCHEMBL3553651 0.77 FFAR4 (0.43) KMONPC1RAB9AEPHX2
SCHEMBL3555407 0.77 CTSG (0.44) F10F2PRSS1SMN1; SMN2ALDH1A1

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 9 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 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
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
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 KMO 2321/4885F10 3929/4885F2 3465/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 KMO 2321/4885F10 3929/4885F2 3465/4885

“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.