SCHEMBL1400448

SCHEMBL1400448

CCCCCC(N)OON

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
SPHK1 Q9NYA1 2/20 0.40
TP53 P04637 2/20 0.39
LAP3 P28838 2/20 0.39
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL7515200 0.81 OPRM1 (0.40) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL13411321 0.78 OPRM1 (0.50) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL3454555 0.77 SPHK1 (0.47) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL28092875 0.77 OPRM1 (0.55) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL7149711 0.76 SMPD1 (0.45) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL3694779 0.75 OPRM1 (0.52) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL27221680 0.75 OPRM1 (0.52) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL28458489 0.75 OPRM1 (0.52) OPRM1SPHK1TP53LAP3GRIK1
SCHEMBL10521286 0.75
SCHEMBL11301482 0.73 OPRM1 (0.50) OPRM1SPHK1TP53LAP3GRIK1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11415576-B2 Method for measurement of vitamin D ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2022-08-16 US disclosed
CN-107003305-B Method for measuring vitamin D 豪夫迈·罗氏有限公司 2021-04-02 CN disclosed
EP-3230739-B1 METHOD FOR MEASUREMENT OF VITAMIN D HOFFMANN LA ROCHE (CH) 2019-01-23 EP disclosed
EP-3230739-A1 METHOD FOR MEASUREMENT OF VITAMIN D F. Hoffmann-La Roche AG (CH) 2017-10-18 EP disclosed
US-20170269068-A1 METHOD FOR MEASUREMENT OF VITAMIN D ROCHE DIAGNOSTICS OPERATIONS, INC. 2017-09-21 US disclosed
WO-2016091755-A1 METHOD FOR MEASUREMENT OF VITAMIN D F. HOFFMANN-LA ROCHE AG (CH) 2016-06-16 WO disclosed
US-7910363-B1 Lipophilic polyamines providing enhanced intracellular delivery of agents by a polyamine transport system UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-03-22 US disclosed
EP-1441224-B1 ENZYME INHIBITION IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2011-03-02 EP disclosed
US-7476727-B2 Conjugates of mycophenolic acid ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-01-13 US disclosed
EP-1105730-B1 ENZYME INHIBITION IMMUNOASSAY ROCHE DIAGNOSTICS OPERATIONS (US) 2008-01-23 EP disclosed
US-20040076979-A1 Dye pair for flourescence resonance energy transfer (fret) measurements ROCHE DIAGNOSTICS OPERATIONS, INC. 2004-04-22 US disclosed
US-20030207431-A1 Enzyme inhibition immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2003-11-06 US disclosed
EP-1337851-A1 DYE PAIR FOR FLUORESCENCE RESONANCE ENERGY TRANSFER (FRET) MEASUREMENTS Roche Diagnostics GmbH (DE) 2003-08-27 EP disclosed
US-6524808-B1 Combining analyte with ligand-inhibitor conjugate comprising ligand of analyte and an uncompetitive inhibitor of IMPDH, a receptor specific for said analyte, IMP, NAD and IMPDH; NADH production indicates presence or amount of analyte ROCHE DIAGNOSTICS CORPORATION 2003-02-25 US disclosed
WO-2002041001-A1 DYE PAIR FOR FLUORESCENCE RESONANCE ENERGY TRANSFER (FRET) MEASUREMENTS ROCHE DIAGNOSTICS GMBH (DE) 2002-05-23 WO disclosed
EP-1105730-A1 ENZYME INHIBITION IMMUNOASSAY Roche Diagnostics Corporation (US) 2001-06-13 EP disclosed
WO-2001001135-A1 ENZYME INHIBITION IMMUNOASSAY ROCHE DIAGNOSTICS CORPORATION (US) 2001-01-04 WO disclosed
US-6027885-A MONONUCLEOSIDE TRIPHOSPHATE WITH AN ELECTROCHEMILUMINESCENCE GROUP; FOR DETECTION AND CHAIN EXTENSION OF OLIGONUCLEOTIDES ROCHE DIAGNOSTICS GMBH (DE) 2000-02-22 US disclosed
US-5639609-A HYBRIDIZING WITH CAPTURE PROBE PROTECTED AGAINST ENZYMATIC DEGRADATION BOEHRINGER MANNHEIM GMBH (DE) 1997-06-17 US disclosed
EP-0628568-A2 Method for the immobilisation of nucleic acids Roche Diagnostics GmbH (DE) 1994-12-14 EP 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 (3 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-11415576-B2 Method for measurement of vitamin D CYP24A1, VDR, CYP2R1 OPRM1 4289/4885SPHK1 3220/4885TP53 3743/4885
US-20030207431-A1 Enzyme inhibition immunoassay IDE, RNASE1, SHBG OPRM1 3052/4885SPHK1 3887/4885TP53 3625/4885
US-20170269068-A1 METHOD FOR MEASUREMENT OF VITAMIN D CYP24A1, VDR, CYP2R1 OPRM1 4289/4885SPHK1 3220/4885TP53 3743/4885

“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.