SCHEMBL7799840

SCHEMBL7799840

CC(C)(C)OC(=O)C(C1CCNCC1)N(c1ccccc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
LMNA P02545 4/20 0.37
OPRD1 P41143 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CCR8 P51685 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL7528853 0.87 POLB (0.43) POLBLMNASMN1; SMN2RAB9AMAPK1
SCHEMBL7533916 0.73 HTR6 (0.38) POLBLMNASMN1; SMN2KMT2AMAPT
SCHEMBL27565064 0.72 SLC6A2 (0.38) POLBLMNAOPRD1SLC6A2SLC6A4
SCHEMBL8501565 0.71 MMP1 (0.36) OPRD1SLC6A2SLC6A4MMP1MMP3
Iodide SCHEMBL4792332 0.70 OPRD1 (0.36) OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL7797107 0.70 NPR3 (0.42) OPRD1MAPK1KMT2AMAPTSLC6A2
Iodide SCHEMBL4349226 0.70 OPRD1 (0.36) OPRD1SLC6A2SLC6A4SLC6A3
Iodide SCHEMBL4490791 0.69 OPRD1 (0.36) OPRD1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL12469312 0.68 SLC6A2 (0.46) SMN1; SMN2RAB9AKMT2AMEN1SLC6A2
SCHEMBL8703070 0.68 ITGA4 (0.42) POLBSMN1; SMN2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 POLB 2886/4885LMNA 2005/4885OPRD1 4/4885

“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.