SCHEMBL872963

SCHEMBL872963

CC(C)OC(CF)C[N+](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.32
PRKCG P05129 2/20 0.32
PRKCB P05771 2/20 0.32
PRKCA P17252 2/20 0.32
PRKCH P24723 2/20 0.32
PRKCI P41743 2/20 0.32
PRKCE Q02156 2/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCZ Q05513 2/20 0.32
PRKCD Q05655 2/20 0.32
PRKD1 Q15139 2/20 0.32
TSHR P16473 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 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
SCHEMBL872303 0.80 TSHR (0.32) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL872040 0.73
SCHEMBL873957 0.71 THRB (0.33) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL23418155 0.70
SCHEMBL13210313 0.70 LMNA (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL22056511 0.70 CYP1A2 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL26797562 0.70 CYP1A2 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23447754 0.70 LMNA (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL25099744 0.70 LMNA (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL26797560 0.70 CYP1A2 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130202530-A1 NOVEL RADIOTRACER IMPERIAL COLLEGE (GB) 2013-08-08 US claimed
EP-2619172-A2 NOVEL RADIOTRACER GE Healthcare UK Limited (GB) 2013-07-31 EP claimed
WO-2012040138-A2 NOVEL RADIOTRACER GE HEALTHCARE LIMITED (GB) 2012-03-29 WO claimed
US-20130202530-A1 NOVEL RADIOTRACER IMPERIAL COLLEGE (GB) 2013-08-08 US disclosed
EP-2619171-A2 NOVEL PRECURSOR GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
EP-2619170-A2 ISOTOPIC CARBON CHOLINE ANALOGS GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
EP-2619172-A2 NOVEL RADIOTRACER GE Healthcare UK Limited (GB) 2013-07-31 EP disclosed
US-20130183239-A1 ISOTOPIC CARBON CHOLINE ANALOGS IMPERIAL COLLEGE (GB) 2013-07-18 US disclosed
US-20130178653-A1 NOVEL PRECURSOR OF RADIOLABELLED CHOLINE ANALOG COMPOUNDS IMPERIAL COLLEGE (GB) 2013-07-11 US disclosed
WO-2012040151-A2 ISOTOPIC CARBON CHOLINE ANALOGS GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed
WO-2012040138-A2 NOVEL RADIOTRACER GE HEALTHCARE LIMITED (GB) 2012-03-29 WO disclosed
WO-2012040133-A2 NOVEL PRECURSOR GE HEALTHCARE LIMITED (GB) 2012-03-29 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 (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-20130178653-A1 NOVEL PRECURSOR OF RADIOLABELLED CHOLINE ANALOG COMPOUNDS CHAT, CEPT1, SLC5A7 PRKD3 2435/4885PRKCG 2754/4885PRKCB 1869/4885
US-20130183239-A1 ISOTOPIC CARBON CHOLINE ANALOGS CEPT1, CHAT, CHKB PRKD3 1309/4885PRKCG 1883/4885PRKCB 1150/4885
US-20130202530-A1 NOVEL RADIOTRACER CEPT1, SGMS1, SGMS2 PRKD3 2793/4885PRKCG 2283/4885PRKCB 1989/4885

“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.