SCHEMBL14739986

SCHEMBL14739986

C[N+](C)(C)CC(CCN)OP(=O)([O-])O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.36
GABBR1 Q9UBS5 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 3/20 0.34
HRH1 P35367 1/20 0.34
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
THPO P40225 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
SCHEMBL14739090 0.84 MEN1 (0.35) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1692410 0.84 MEN1 (0.37) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL5255308 0.83 MEN1 (0.34) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL192296 0.80 MEN1 (0.39) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL8160112 0.80 SMPD1 (0.45) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL62053 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNATSHR
SCHEMBL60425 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNATSHR
SCHEMBL418811 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNATSHR
SCHEMBL6130068 0.79 MEN1 (0.33) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL60847 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNATSHR

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 5 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
EP-2751123-A1 BIOCOMPATIBLE MATERIAL Vertellus Specialties Inc. (US) 2014-07-09 EP disclosed
WO-2013033554-A1 BIOCOMPATIBLE MATERIAL VERTELLUS SPECIALTIES INC. (US) 2013-03-07 WO 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 (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-20130059970-A1 BIOCOMPATIBLE MATERIAL VCL, ITGAM, MACF1 GABBR2 2018/4885GABBR1 2348/4885MEN1 550/4885

“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.