SCHEMBL16112209

SCHEMBL16112209

CC(C)(C)OC(=O)NOCCc1ccc2c(c1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 9/20 0.44
CHRM1 P11229 9/20 0.44
CHRM4 P08173 4/20 0.44
CHRM3 P20309 4/20 0.44
CHRM2 P08172 3/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
KCNE1 P15382 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL30627588 0.84 RAB9A (0.50) CHRM5CHRM1CHRM4CHRM3CHRM2
SCHEMBL20415861 0.78 REN (0.46) RAB9ANPC1POLBACACBTAS1R3
SCHEMBL29829642 0.77 NAMPT (0.46) RAB9ANPC1POLBMAPT
SCHEMBL30627550 0.77 NAMPT (0.46) RAB9ANPC1POLBMAPT
SCHEMBL28342389 0.76 CHRM5 (0.53) CHRM5CHRM1CHRM4CHRM3CHRM2
SCHEMBL18262463 0.76 ACE (0.52) RAB9ANPC1POLBACACB
SCHEMBL21893246 0.76 ACACB (0.47) RAB9ANPC1POLBMAPTACACB
SCHEMBL18262461 0.76 ACE (0.52) RAB9ANPC1POLBACACB
SCHEMBL29940852 0.76 ACACB (0.47) RAB9ANPC1POLBMAPTACACB
SCHEMBL18262693 0.75 TAS1R3 (0.52) RAB9ANPC1POLBACACBTAS1R3

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
US-9518067-B2 Trifluoroborate mass spectrometric tags CellMosaic, Inc. (US) 2016-12-13 US disclosed
US-20160333029-A1 TRIFLUOROBORATE MASS SPECTROMETRIC TAGS CELLMOSAIC INC (US) 2016-11-17 US disclosed
US-9346833-B2 Trifluoroborate mass spectrometric tags CellMosaic, Inc. (US) 2016-05-24 US disclosed
US-20160052942-A1 TRIFLUOROBORATE MASS SPECTROMETRIC TAGS CELLMOSAIC INC (US) 2016-02-25 US disclosed
WO-2014160739-A2 TRIFLUOROBORATE MASS SPECTROMETRIC TAGS CELLMOSAIC INC. (US) 2014-10-02 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 (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-20160052942-A1 TRIFLUOROBORATE MASS SPECTROMETRIC TAGS AFF4, BRS3, AFF2 CHRM5 2019/4885CHRM1 2994/4885CHRM4 1132/4885
US-20160333029-A1 TRIFLUOROBORATE MASS SPECTROMETRIC TAGS AFF4, BRS3, AFF2 CHRM5 2019/4885CHRM1 2994/4885CHRM4 1132/4885

“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.