SCHEMBL13801283

SCHEMBL13801283

NC(=O)N(c1ccccc1)C1CCN(C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.46
CHRM2 P08172 4/20 0.46
OPRD1 P41143 9/20 0.45
OPRM1 P35372 8/20 0.45
SIGMAR1 Q99720 2/20 0.45
OPRK1 P41145 7/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
SLC22A1 O15245 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB1 P08183 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
DRD4 P21917 1/20 0.43
MAOB P27338 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL13801292 0.87 MEN1 (0.44) CHRM3CHRM2OPRM1KCNH2MEN1
SCHEMBL13801291 0.81 OPRM1 (0.45) CHRM3CHRM2OPRD1OPRM1SIGMAR1
SCHEMBL20916018 0.81 OPRM1 (0.68) CHRM3OPRD1OPRM1SIGMAR1OPRK1
SCHEMBL13801287 0.80 KCNH2 (0.59) CHRM3CHRM2OPRD1OPRM1SIGMAR1
SCHEMBL4604800 0.79 ALDH1A1 (0.64) CHRM3CHRM2MEN1KMT2A
SCHEMBL27569365 0.77 CHRM3 (0.51) CHRM3CHRM2OPRD1OPRM1SIGMAR1
SCHEMBL6621005 0.76 SLC6A4 (0.49) CHRM3CHRM2OPRD1OPRM1SIGMAR1
SCHEMBL13801281 0.74 PYGL (0.37) SIGMAR1DRD2KMT2A
SCHEMBL6631608 0.72 OPRD1 (0.44) OPRD1OPRM1SIGMAR1MEN1KMT2A
SCHEMBL8151641 0.71 MEN1 (0.54) MEN1KMT2A

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
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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 (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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS CHRM3 30/4885CHRM2 6/4885OPRD1 109/4885

“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.