SCHEMBL12626128

SCHEMBL12626128

CC(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL12626133 0.85 L3MBTL1 (0.50) L3MBTL1ALDH1A1HCRTR1HCRTR2POLB
SCHEMBL12621844 0.83 L3MBTL1 (0.54) L3MBTL1ALDH1A1HCRTR1HCRTR2POLB
SCHEMBL12663591 0.78 ALDH1A1 (0.53) L3MBTL1ALDH1A1MAPT
SCHEMBL12621895 0.77 CA12 (0.55) L3MBTL1ALDH1A1HCRTR1HCRTR2POLB
SCHEMBL13035872 0.77 HCRTR1 (0.49) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12621953 0.76 POLB (0.68) L3MBTL1ALDH1A1HCRTR1HCRTR2POLB
SCHEMBL12622104 0.74 POLB (0.55) L3MBTL1ALDH1A1HCRTR1HCRTR2POLB
SCHEMBL12623987 0.74 L3MBTL1 (0.65) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL2085614 0.73 MAPT (0.62) ALDH1A1POLBMAPTDPP4DPP8
SCHEMBL12626126 0.73 MAPT (0.42) ALDH1A1MAPTDPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3970/4885ALDH1A1 2702/4885HCRTR1 3537/4885

“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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