SCHEMBL13035959

SCHEMBL13035959

O=S(=O)(c1ccccc1)N1CCOC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.58
▸ HCRTR2 O43614 2/20 0.58
▸ USP2 O75604 4/20 0.51
▸ TSHR P16473 4/20 0.51
▸ CYP2D6 P10635 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP3A4 P08684 4/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL15426005 0.91 HCRTR1 (0.52) HCRTR1HCRTR2USP2TSHRCYP2D6
SCHEMBL12626158 0.89 LMNA (0.61) TSHRALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL12626946 0.89 HCRTR1 (0.53) HCRTR1HCRTR2TSHRCYP2D6ALDH1A1
SCHEMBL12622076 0.85 L3MBTL1 (0.52) HCRTR1HCRTR2USP2TSHRALDH1A1
SCHEMBL12663594 0.85 L3MBTL1 (0.52) HCRTR1HCRTR2TSHRALDH1A1L3MBTL1
SCHEMBL13035949 0.83 L3MBTL1 (0.45) HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL12661174 0.82 HCRTR1 (0.56) HCRTR1HCRTR2ALDH1A1L3MBTL1MEN1
SCHEMBL12622002 0.82 POLB (0.64) HCRTR1HCRTR2USP2TSHRCYP2D6
SCHEMBL12626207 0.82 L3MBTL1 (0.61) ALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL12626027 0.82 ALDH1A1 (0.49) HCRTR1HCRTR2TSHRCYP2D6ALDH1A1

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 HCRTR1 1651/4885HCRTR2 1832/4885USP2 4289/4885

“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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