SCHEMBL12626027

SCHEMBL12626027

CC(=O)c1ccc(CN2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ RCOR1 Q9UKL0 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 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
SCHEMBL12626946 0.95 HCRTR1 (0.53) ALDH1A1L3MBTL1HCRTR1HCRTR2CYP2D6
SCHEMBL12623975 0.88 ALDH1A1 (0.51) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12623977 0.87 HCRTR1 (0.51) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12622076 0.87 L3MBTL1 (0.52) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12623974 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12663594 0.85 L3MBTL1 (0.52) ALDH1A1L3MBTL1HCRTR1HCRTR2TSHR
SCHEMBL12621830 0.84 ALDH1A1 (0.59) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12623948 0.84 LMNA (0.57) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12624004 0.84 L3MBTL1 (0.47) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL12623972 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1HCRTR1HCRTR2SMN1; SMN2

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 ALDH1A1 2702/4885L3MBTL1 3970/4885HCRTR1 3537/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 ALDH1A1 2702/4885L3MBTL1 3970/4885HCRTR1 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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