SCHEMBL344732

SCHEMBL344732

CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCn1cc(C(C)(C)C)sc1=N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.37
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA9 Q16790 7/20 0.37
DRD2 P14416 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
IDO1 P14902 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL367699 0.94 DRD2 (0.40) CA12CA1CA2CA9DRD2
SCHEMBL345147 0.73 TDP1 (0.44) CA12CA1CA2CA9DRD2
SCHEMBL34362 0.73 TDP1 (0.58) CA12CA1CA2CA9TDP1
Hydrochloric Acid SCHEMBL219905 0.72 TDP1 (0.56) CA12CA1CA2CA9TDP1
Ammonia Solution, Strong SCHEMBL28173213 0.72 TDP1 (0.56) CA12CA1CA2CA9TDP1
Bicarbonate SCHEMBL4130667 0.70 MEN1 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL2878564 0.69 DRD2 (0.42) DRD2TDP1ALDH1A1GFERHTT
Acetic Acid SCHEMBL8853938 0.69 MEN1 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL31574412 0.68 MEN1 (0.53) CA12CA1CA2CA9TDP1
SCHEMBL585025 0.67 ALDH1A1 (0.41) DRD2TDP1ALDH1A1GFERMEN1

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-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 CA12 4546/4885CA1 3836/4885CA2 3593/4885

“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.