SCHEMBL1945754

SCHEMBL1945754

CC1(C)OCC(CNCCO)O1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
ADRA1D P25100 12/20 0.36
HTR1A P08908 11/20 0.36
ADRA1B P35368 11/20 0.36
ADRA1A P35348 11/20 0.35
NAMPT P43490 3/20 0.34

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
SCHEMBL1946230 1.00 CA2 (0.50) CA2ADRA1DHTR1AADRA1BADRA1A
SCHEMBL1945756 1.00 CA2 (0.50) CA2ADRA1DHTR1AADRA1BADRA1A
SCHEMBL20689800 0.85 CA2 (0.59) CA2ADRA1DHTR1AADRA1BADRA1A
SCHEMBL1235933 0.84 CA2 (0.51) CA2ADRA1DHTR1AADRA1BADRA1A
SCHEMBL10864461 0.82 CA2 (0.54) CA2ADRA1DHTR1AADRA1BADRA1A
SCHEMBL27821631 0.79 CA2 (0.47) CA2ADRA1DHTR1AADRA1BADRA1A
SCHEMBL5990159 0.77 CA2 (0.56) CA2NAMPT
SCHEMBL3500787 0.77 CA2 (0.56) CA2NAMPT
SCHEMBL6844207 0.77 CA2 (0.56) CA2NAMPT
SCHEMBL28602350 0.76 CA2 (0.44) CA2ADRA1DHTR1AADRA1BADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853224-B2 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases INDUSTRIAL RESEARCH LIMITED (NZ) 2014-10-07 US disclosed
EP-2200656-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-12-05 EP disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
US-8323619-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-12-04 US disclosed
EP-2203189-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-07-18 EP disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
US-8202511-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-06-19 US disclosed
EP-2395005-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases Industrial Research Limited (NZ) 2011-12-14 EP disclosed
US-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases BIOCRYST PHARMACEUTICALS, INC. 2011-06-02 US disclosed
EP-2205553-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-07-14 EP disclosed
EP-2203189-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-07-07 EP disclosed
EP-2200656-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2010-06-30 EP disclosed
WO-2008030119-A9 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-09-24 WO disclosed
WO-2009071605-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-06-11 WO disclosed
WO-2009060021-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-05-14 WO disclosed
EP-2057165-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-05-13 EP disclosed
WO-2009047315-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed
WO-2009047319-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-04-16 WO disclosed
WO-2008030119-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO 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-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases PNP, TYMP, NTPCR CA2 2335/4885ADRA1D 2886/4885HTR1A 1602/4885

“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.