SCHEMBL1999794

SCHEMBL1999794

O=C(O)C1CN(CP(=O)(O)O)CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 1.00
GRIN2D O15399 5/20 0.68
GRIN3B O60391 5/20 0.68
GRIN1 Q05586 5/20 0.68
GRIN2A Q12879 5/20 0.68
GRIN2B Q13224 5/20 0.68
GRIN2C Q14957 5/20 0.68
GRIN3A Q8TCU5 5/20 0.68
THRB P10828 3/20 0.68
ALOX15 P16050 3/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
HSD17B10 Q99714 1/20 0.68
LMNA P02545 1/20 0.68
RECQL P46063 1/20 0.68
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL15959451 1.00 MAPT (1.00) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28026504 0.83 MAPT (0.70) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1557957 0.81 GRIN2D (1.00) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6021110 0.81 GRIN2D (1.00) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL167788 0.81 GRIN2D (1.00) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9003838 0.81 MAPT (0.68) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2043404 0.78 MAPT (0.64) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15903721 0.78 MAPT (0.64) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28341616 0.77 MAPT (0.63) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6577891 0.77 MAPT (0.63) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-30 US claimed
EP-2841067-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME The Regents of The University of California (US) 2015-03-04 EP claimed
WO-2013163455-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-31 WO claimed
US-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-30 US disclosed
EP-2841067-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME The Regents of The University of California (US) 2015-03-04 EP disclosed
WO-2013163455-A2 A DRUG SCREENING PLATFORM FOR RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-31 WO disclosed
WO-2011076946-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALZHEIMER Universidad Del País Vasco (ES) 2011-06-30 WO disclosed
EP-2338492-A1 Methods and compositions for the treatment of alzheimer Universidad del Pais Vasco (ES) 2011-06-29 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 (1 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-20150119327-A1 DRUG SCREENING PLATFORM FOR RETT SYNDROME GRIN2A, GRIN1, GRIN2B MAPT 168/4885GRIN2D 11/4885GRIN3B 12/4885

“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.