SCHEMBL5059550

SCHEMBL5059550

O=P(O)(O)CCCC1NCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.52
PRCP P42785 2/20 0.51
SLC22A1 O15245 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
OPRK1 P41145 6/20 0.48
OPRD1 P41143 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3252674 0.83 OPRM1 (0.49) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL4340398 0.78 PRCP (0.58) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL27985631 0.78 PRCP (0.60) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL917364 0.78 ALDH1A1 (0.52) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL5898800 0.77 PRCP (0.61) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL918901 0.77 ALDH1A1 (0.51) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL6429588 0.77 PRCP (0.59) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL10384045 0.76 OPRM1 (0.53) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
Ammonia Solution, Strong SCHEMBL28831335 0.75 PRCP (0.57) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1
SCHEMBL28057904 0.75 PRCP (0.51) OPRM1PRCPSLC22A1SMN1; SMN2OPRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-6670399-B2 Contacting a blood vessel wall cell with an A beta 40 inhibitor, such that cerebral amyloid angiopathy is inhibited NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-12-30 US disclosed
EP-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP disclosed
EP-1077690-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH Neurochem, Inc. (CA) 2001-02-28 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO disclosed
WO-1999059571-A1 USE OF AMYLOID INHIBITORS FOR MODULATING NEURONAL CELL DEATH NEUROCHEM, INC. (US) 1999-11-25 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-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT OPRM1 4135/4885PRCP 413/4885SLC22A1 1610/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 OPRM1 1739/4885PRCP 317/4885SLC22A1 2611/4885

“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.