SCHEMBL13801291

SCHEMBL13801291

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.45
SIGMAR1 Q99720 2/20 0.45
CHRM3 P20309 5/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
KCNH2 Q12809 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
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
SCHEMBL13801287 0.85 KCNH2 (0.59) OPRM1SIGMAR1CHRM3OPRD1OPRK1
SCHEMBL13801283 0.81 CHRM3 (0.46) OPRM1SIGMAR1CHRM3OPRD1OPRK1
SCHEMBL19027675 0.81 KDM4E (0.59) CHRM3KCNH2CHRM2HRH3
SCHEMBL20916018 0.81 OPRM1 (0.68) OPRM1SIGMAR1CHRM3OPRD1OPRK1
SCHEMBL6629807 0.78 SLC6A4 (0.48) OPRM1SIGMAR1KCNH2HRH1SLC6A3
SCHEMBL6630325 0.77 MEN1 (0.63)
SCHEMBL13899715 0.74 PYGL (0.38) SIGMAR1DRD2
SCHEMBL6656572 0.72 OPRM1 (0.45) OPRM1SIGMAR1CHRM3OPRD1OPRK1
SCHEMBL6654171 0.71 OPRM1 (0.47) OPRM1SIGMAR1CHRM3OPRD1OPRK1
SCHEMBL4753533 0.70 CHRM3 (0.58) OPRM1SIGMAR1CHRM3OPRD1OPRK1

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 OPRM1 10/4885SIGMAR1 377/4885CHRM3 30/4885

“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.