SCHEMBL13035949

SCHEMBL13035949

Cc1cccc(CN2CCC3(CC2)OCCN3S(=O)(=O)c2cccc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 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
SCHEMBL12621992 0.84 L3MBTL1 (0.57) L3MBTL1ALDH1A1GAAHCRTR1HCRTR2
SCHEMBL13035959 0.83 HCRTR1 (0.58) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12626045 0.80 CHRM2 (0.49) CHRM2CHRM3ALDH1A1
SCHEMBL12626490 0.78 MMP1 (0.47) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12626946 0.75 HCRTR1 (0.53) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12626158 0.75 LMNA (0.61) L3MBTL1ALDH1A1
SCHEMBL15426005 0.75 HCRTR1 (0.52) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12663594 0.74 L3MBTL1 (0.52) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12622076 0.74 L3MBTL1 (0.52) L3MBTL1CHRM2CHRM3ALDH1A1HCRTR1
SCHEMBL12626027 0.73 ALDH1A1 (0.49) L3MBTL1ALDH1A1HCRTR1HCRTR2

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-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 — — 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-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A FLNA, OPRL1, FLNB L3MBTL1 2361/4885CHRM2 610/4885CHRM3 586/4885

“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.

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