SCHEMBL12416446

SCHEMBL12416446

CCCC(C)C(=O)N(C)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
TSHR P16473 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
FDPS P14324 1/20 0.32
CHRNB2 P17787 2/20 0.32

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
SCHEMBL14962839 1.00 FAAH (0.40) FAAHTSHRCHRM1AKR1A1CHRM3
SCHEMBL18099967 0.88 CA1 (0.42) FAAHTSHRTDP1CA1CYP3A4
SCHEMBL10099838 0.85 FAAH (0.36) FAAHTSHR
SCHEMBL10099854 0.85 FAAH (0.36) FAAHTSHR
SCHEMBL6117338 0.83 FAAH (0.42) FAAHHSD17B10
SCHEMBL12236077 0.83 FAAH (0.42) FAAHHSD17B10
SCHEMBL14928810 0.83 FAAH (0.42) FAAHHSD17B10
SCHEMBL685014 0.80 FAAH (0.38) FAAHALDH1A1
SCHEMBL12549397 0.80 FAAH (0.38) FAAHALDH1A1
SCHEMBL11985424 0.80 FAAH (0.38) FAAHTSHRCHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4009966-A1 SCALEABLE PREPARATION OF POLYKETIDES The Regents of the University of California (US) 2022-06-15 EP disclosed
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 US disclosed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 US 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-20110171175-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 FAAH 1074/4885TSHR 3707/4885CHRM1 4574/4885
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 FAAH 1074/4885TSHR 3707/4885CHRM1 4574/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 FAAH 1074/4885TSHR 3707/4885CHRM1 4574/4885

“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.