SCHEMBL3559981

SCHEMBL3559981

COC(=O)c1ccc(N2CCN(c3cccc(C4CCCCC4)c3)C2=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
STAT3 P40763 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMO O15229 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL3551948 0.87 KMO (0.43) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL14423072 0.83 MAPT (0.48) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL3560047 0.82 NPC1 (0.45) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL3559364 0.82 NPC1 (0.45) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL3559416 0.80 DRD2 (0.39) ALDH1A1KMODRD2DRD3KCNH2
SCHEMBL3556695 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMODRD2DRD3
SCHEMBL3561569 0.78 NPC1 (0.47) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL3559154 0.75 S1PR1 (0.54) KCNH2
SCHEMBL1787841 0.73 KMO (0.67) NPC1KDM4ERAB9ASMN1; SMN2NPSR1
SCHEMBL8414748 0.72 KMO (0.64) NPC1KDM4ERAB9ASMN1; SMN2NPSR1

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 NPC1 531/4885KDM4E 1569/4885RAB9A 2475/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 NPC1 531/4885KDM4E 1569/4885RAB9A 2475/4885

“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.