SCHEMBL12626490

SCHEMBL12626490

O=S(=O)(c1ccc2ccccc2c1)N1CCOC12CCN(Cc1ccc3ccccc3c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ OPRL1 P41146 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HCRTR1 O43613 2/20 0.44
▸ HCRTR2 O43614 2/20 0.44
▸ ACHE P22303 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
SCHEMBL12621872 0.84 MCOLN3 (0.57) KMT2AL3MBTL1
SCHEMBL13035959 0.80 HCRTR1 (0.58) KMT2AALDH1A1KDM4EL3MBTL1HCRTR1
SCHEMBL15426005 0.79 HCRTR1 (0.52) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL12663594 0.78 L3MBTL1 (0.52) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL12622076 0.78 L3MBTL1 (0.52) KMT2AALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL13035949 0.78 L3MBTL1 (0.45) ALDH1A1L3MBTL1HCRTR1HCRTR2
SCHEMBL12626207 0.78 L3MBTL1 (0.61) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL12626158 0.77 LMNA (0.61) MMP1MMP9MMP13ADAM17ALDH1A1
SCHEMBL12626379 0.76 L3MBTL1 (0.46) ALDH1A1KDM4EL3MBTL1HCRTR1HCRTR2
SCHEMBL12626027 0.76 ALDH1A1 (0.49) KMT2AALDH1A1L3MBTL1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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 (2 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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 MMP1 2812/4885MMP9 1119/4885MMP13 1607/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 MMP1 2812/4885MMP9 1119/4885MMP13 1607/4885

“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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