SCHEMBL12650558

SCHEMBL12650558

COC(C)OC(C)N1CCNCC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRD1 P41143 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR7 P34969 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5731936 0.84 MEN1 (0.34) MEN1KMT2AOPRD1CYP2D6SLC6A2
SCHEMBL1473655 0.84 MEN1 (0.34) MEN1KMT2AOPRD1CYP2D6SLC6A2
SCHEMBL538775 0.84 MEN1 (0.34) MEN1KMT2AOPRD1CYP2D6SLC6A2
SCHEMBL14141933 0.80 LMNA (0.39) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2680329 0.79
SCHEMBL8062 0.78 SMN1; SMN2 (0.37) MEN1KMT2AOPRD1SMN1; SMN2
SCHEMBL10852709 0.77
Hydrochloric Acid SCHEMBL4754387 0.75 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL11428307 0.74 KMT2A (0.36) MEN1KMT2A
SCHEMBL17142024 0.72 MEN1 (0.35) MEN1KMT2AOPRD1CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329751-B2 Compounds having aryl-sulphonamidic structure useful as metalloproteases inhibitors BRACCO IMAGING S.P.A. (IT) 2012-12-11 US disclosed
US-20110117015-A1 Diagnostic Agents Selective Against Metalloproteases BRACCO IMAGING S.P.A. (IT) 2011-05-19 US disclosed
US-20100087505-A1 Compounds Having Aryl-Sulphonamidic Structure Useful As Metalloproteases Inhibitors BRACCO IMAGING S.P.A. (IT) 2010-04-08 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 (2 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-20110117015-A1 Diagnostic Agents Selective Against Metalloproteases MMP3, MMP7, MMP9 MEN1 432/4885KMT2A 1798/4885OPRD1 2772/4885
US-20100087505-A1 Compounds Having Aryl-Sulphonamidic Structure Useful As Metalloproteases Inhibitors MMP9, MMP1, ARSA MEN1 2678/4885KMT2A 1159/4885OPRD1 2533/4885

“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.