SCHEMBL12627185

SCHEMBL12627185

CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ MGLL Q99685 2/20 0.48
▸ RORC P51449 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL15426422 0.90 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1L3MBTL1MMP13
SCHEMBL15426424 0.90 HCRTR1 (0.48) HCRTR1HCRTR2RORCALDH1A1L3MBTL1
SCHEMBL12655883 0.89 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL12656193 0.88 L3MBTL1 (0.57) HCRTR1HCRTR2ALDH1A1L3MBTL1MMP13
SCHEMBL12623931 0.88 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1L3MBTL1MMP13
SCHEMBL12627108 0.88 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1L3MBTL1
SCHEMBL18418201 0.81 MGLL (0.72) MGLLRORCPKM
SCHEMBL18422020 0.81 MGLL (0.46) MGLLRORCPKMMMP13
SCHEMBL12626970 0.79 USP2 (0.48) HCRTR1HCRTR2
SCHEMBL12627276 0.78 L3MBTL1 (0.47) HCRTR1HCRTR2ALDH1A1L3MBTL1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 — — US 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
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 — — US disclosed
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. 2014-04-24 — — US disclosed
US-20110105481-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

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 HCRTR1 3880/4885HCRTR2 3876/4885MGLL 2089/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 HCRTR1 3880/4885HCRTR2 3876/4885MGLL 2089/4885
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 HCRTR1 3880/4885HCRTR2 3876/4885MGLL 2089/4885

“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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