SCHEMBL873292

SCHEMBL873292

CCCCOC(C)(F)C[N+](C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
DNM1 Q05193 2/20 0.30

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
SCHEMBL872445 0.94 CES2 (0.35) DNM1
SCHEMBL872790 0.87
SCHEMBL873956 0.78
Hydrochloric Acid SCHEMBL28432990 0.77 ADRB2 (0.32) ADRB2ADRB1ADRB3DNM1
SCHEMBL10016204 0.72
SCHEMBL1127954 0.71 DNM1 (0.39) DNM1
Hydrochloric Acid SCHEMBL28430115 0.69 DNM1 (0.38) DNM1
SCHEMBL1118363 0.69
SCHEMBL26329272 0.69 CES1 (0.36) ADRB2ADRB1ADRB3
SCHEMBL872039 0.68

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-2619172-A2 NOVEL RADIOTRACER GE Healthcare UK Limited (GB) 2013-07-31 EP 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
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 ADRB2 190/4885ADRB1 65/4885ADRB3 69/4885
US-20130183239-A1 ISOTOPIC CARBON CHOLINE ANALOGS CEPT1, CHAT, CHKB ADRB2 1039/4885ADRB1 747/4885ADRB3 366/4885
US-20130202530-A1 NOVEL RADIOTRACER CEPT1, SGMS1, SGMS2 ADRB2 919/4885ADRB1 534/4885ADRB3 489/4885

“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.