SCHEMBL13685147

SCHEMBL13685147

[CH2]CCCCCCCCCCCOC(=O)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.52
CHRNA4 P43681 6/20 0.52
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
NAAA Q02083 1/20 0.36
EPHX1 P07099 1/20 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
SCHEMBL2536306 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2531727 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13685207 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2536298 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL13684818 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2534652 0.98 CHRNB2 (0.54) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2540236 0.91 CHRNB2 (0.56) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8372848 0.89 CHRNB2 (0.62) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1890522 0.82
SCHEMBL25277070 0.81 NAAA (0.57) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302782-A1 PROCESS FOR PREPARING A CARBAMATE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-11-29 US disclosed
EP-2522736-A1 PROCESS FOR PRODUCTION OF CARBAMATE COMPOUND Ube Industries, Ltd. (JP) 2012-11-14 EP 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-20120302782-A1 PROCESS FOR PREPARING A CARBAMATE COMPOUND ALKBH3, DNPH1, NCEH1 CHRNB2 3075/4885CHRNA4 1866/4885CHRM2 2232/4885

“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.