SCHEMBL14748951

SCHEMBL14748951

C=COC(=O)NCCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.36
CHRM5 P08912 4/20 0.35
CHRM1 P11229 4/20 0.35
CHRM3 P20309 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA7 P36544 3/20 0.35
CHRNA4 P43681 3/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
APEX1 P27695 1/20 0.34
ADRA1A P35348 2/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 1/20 0.31
PGR P06401 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL13052067 0.84 CA12 (0.39) ENPP2LPAR1LPAR2
SCHEMBL17370182 0.84 ZDHHC20 (0.39) FABP3CHRM5CHRM1CHRM3CHRM2
SCHEMBL15752144 0.80 ENPP2 (0.32) ENPP2LPAR1LPAR2
SCHEMBL25857265 0.74 SMN1; SMN2 (0.46) FABP3CHRM5CHRM1CHRM3CHRM2
SCHEMBL13978764 0.74 BBOX1 (0.44) FABP3CHRM5CHRM1CHRM3CHRM2
SCHEMBL328730 0.74 TSHR (0.41) ENPP2LPAR1LPAR2TSHR
SCHEMBL284261 0.74 TSHR (0.41) ENPP2LPAR1LPAR2TSHR
SCHEMBL27999363 0.73 HPGD (0.38) MAPK1SMN1; SMN2TSHRGAARAB9A
SCHEMBL16638188 0.73 CHRM5 (0.42) FABP3CHRM5CHRM1CHRM3CHRM2
SCHEMBL65991 0.72 FABP3 (0.39) FABP3CHRM5CHRM1CHRM3CHRM2

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
EP-2751123-B1 BIOCOMPATIBLE MATERIAL VERTELLUS HOLDINGS LLC (US) 2017-08-02 EP disclosed
US-9006305-B2 Biocompatible material VERTELLUS SPECIALTIES INC. (US) 2015-04-14 US disclosed
US-8980956-B2 Methods for producing biocompatible materials VERTELLUS SPECIALITIES INC. (US) 2015-03-17 US disclosed
WO-2013033553-A1 METHODS FOR PRODUCING BIOCOMPATIBLE MATERIALS VERTELLUS SPECIALTIES INC. (US) 2013-03-07 WO disclosed
WO-2013033554-A1 BIOCOMPATIBLE MATERIAL VERTELLUS SPECIALTIES INC. (US) 2013-03-07 WO disclosed
US-20130059926-A1 METHODS FOR PRODUCING BIOCOMPATIBLE MATERIALS VERTELLUS HOLDINGS, LLC 2013-03-07 US disclosed
US-20130059970-A1 BIOCOMPATIBLE MATERIAL VERTELLUS HOLDINGS, LLC 2013-03-07 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 (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-20130059970-A1 BIOCOMPATIBLE MATERIAL VCL, ITGAM, MACF1 FABP3 3485/4885CHRM5 3319/4885CHRM1 1372/4885
US-20130059926-A1 METHODS FOR PRODUCING BIOCOMPATIBLE MATERIALS VCL, ECPAS, MACF1 FABP3 2001/4885CHRM5 1752/4885CHRM1 319/4885

“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.