SCHEMBL12627276

SCHEMBL12627276

CC(C)(C)OC(=O)N1CCCC2(C1)OCCN2S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ NAMPT P43490 5/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ MMP13 P45452 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38

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
SCHEMBL12626531 0.90 MMP1 (0.50) L3MBTL1ALDH1A1NAMPTHCRTR1HCRTR2
SCHEMBL15426422 0.79 HCRTR1 (0.51) L3MBTL1ALDH1A1HCRTR1HCRTR2MMP13
SCHEMBL12627185 0.78 HCRTR1 (0.50) L3MBTL1ALDH1A1HCRTR1HCRTR2MMP13
SCHEMBL12655883 0.78 HCRTR1 (0.50) L3MBTL1ALDH1A1NAMPTHCRTR1HCRTR2
SCHEMBL12656193 0.78 L3MBTL1 (0.57) L3MBTL1ALDH1A1HCRTR1HCRTR2MMP13
SCHEMBL12627108 0.77 HCRTR1 (0.48) L3MBTL1ALDH1A1NAMPTHCRTR1HCRTR2
SCHEMBL12623931 0.77 HCRTR1 (0.48) L3MBTL1ALDH1A1NAMPTHCRTR1HCRTR2
SCHEMBL15426424 0.77 HCRTR1 (0.48) L3MBTL1ALDH1A1HCRTR1HCRTR2F13A1
SCHEMBL12623821 0.72 L3MBTL1 (0.49) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL12621740 0.71 CYP2D6 (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 — — EP disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 — — US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 — — US disclosed
EP-2918587-A2 Filamin a binding anti-inflammatory and analgesic Pain Therapeutics, Inc. (US) 2015-09-16 — — EP disclosed
US-8653068-B2 Filamin A binding anti-inflammatory and analgesic PAIN THERAPEUTICS, INC. (US) 2014-02-18 — — US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
WO-2010051497-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO 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 (3 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3291/4885ALDH1A1 2575/4885NAMPT 2843/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 L3MBTL1 4055/4885ALDH1A1 3041/4885NAMPT 3163/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3291/4885ALDH1A1 2575/4885NAMPT 2843/4885

“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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