SCHEMBL3263241

SCHEMBL3263241

C=CCNOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.33
ADRA1A P35348 2/20 0.33
FABP3 P05413 1/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CDC25A P30304 1/20 0.33
AGTR1 P30556 1/20 0.33
AKT1 P31749 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRNB2 P17787 3/20 0.32
CHRNA7 P36544 3/20 0.32
CHRNA4 P43681 3/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL28150271 0.78 CHRM5 (0.37) SMN1; SMN2LMNAADRA1AFABP3ESR1
SCHEMBL11796674 0.77 LPAR2 (0.32) SMN1; SMN2LPAR2LPAR3MAPTTSHR
SCHEMBL65991 0.77 FABP3 (0.39) SMN1; SMN2LMNAADRA1AFABP3ESR1
SCHEMBL25857265 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAADRA1AFABP3ESR1
SCHEMBL29128926 0.74 LPAR3 (0.50) SMN1; SMN2LMNAADRA1AFABP3ESR1
SCHEMBL8598236 0.72 SMN1; SMN2 (0.37) SMN1; SMN2LMNAADRA1AFABP3ESR1
SCHEMBL22568210 0.72 LPAR3 (0.60) LMNAADRA1AFABP3ESR1ADORA3
SCHEMBL15778356 0.72 SMN1; SMN2 (0.43) SMN1; SMN2LMNAADRA1AFABP3ESR1
SCHEMBL27094907 0.71 SMN1; SMN2 (0.38) SMN1; SMN2LMNAADRA1AESR1ADORA3
SCHEMBL13101840 0.71 FABP3 (0.37) SMN1; SMN2LMNAADRA1AFABP3ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273740-A1 Phospholipids for the Treatment of Infection by Togaviruses, Herpes Viruses and Coronaviruses FLEMING RONALD A 2010-10-28 US disclosed
WO-2005099719-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2005-10-27 WO disclosed
US-20050187191-A1 Methods and compositions for the treatment of respiratory syncytial virus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-25 US disclosed
US-20050187192-A1 Phospholipids for the treatment of infection by togaviruses, herpes viruses and coronaviruses KUCERA PHARMACEUTICAL COMPANY 2005-08-25 US 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-20100273740-A1 Phospholipids for the Treatment of Infection by Togaviruses, Herpes Viruses and Coronaviruses PHOSPHO1, SGMS1, SGMS2 SMN1; SMN2 3818/4885LMNA 2883/4885ADRA1A 3807/4885
US-20050187191-A1 Methods and compositions for the treatment of respiratory syncytial virus RNASEH1, MAVS, ZC3HAV1 SMN1; SMN2 448/4885LMNA 1852/4885ADRA1A 4063/4885
US-20050187192-A1 Phospholipids for the treatment of infection by togaviruses, herpes viruses and coronaviruses PHOSPHO1, SGMS1, SGMS2 SMN1; SMN2 3818/4885LMNA 2883/4885ADRA1A 3807/4885

“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.