SCHEMBL3732386

SCHEMBL3732386

CC(C)CN1CCC(=O)CC1.COS(=O)(=O)O

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.40
CYP2D6 P10635 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HRH3 Q9Y5N1 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR55 Q9Y2T6 1/20 0.33
COMT P21964 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL1181641 0.84 PIK3CD (0.48) PIK3CDCYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL28679202 0.82 PIK3CD (0.44) PIK3CDCYP2D6SMN1; SMN2HRH3MAPK1
Bromide SCHEMBL3731954 0.82 PIK3CD (0.47) PIK3CDCYP2D6SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL3736656 0.82 PIK3CD (0.47) PIK3CDCYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL3740023 0.81 PIK3CD (0.41) PIK3CDCYP2D6SMN1; SMN2NPC1RAB9A
SCHEMBL3733585 0.81 HSD17B10 (0.37) CYP2D6SMN1; SMN2MAPK1GAA
SCHEMBL3741428 0.78 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3735005 0.77 CHRNA7 (0.41) HRH3L3MBTL1GAA
SCHEMBL3731969 0.77 PKM (0.42) CYP2D6SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL27515020 0.77

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP disclosed
EP-1862198-B1 Brightening and/or dyeing agent with urea derivatives HENKEL AG & CO KGAA (DE) 2017-04-05 EP disclosed
EP-2026754-B1 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO KGAA (DE) 2015-09-30 EP disclosed
EP-2012742-B1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO KGAA (DE) 2014-03-19 EP disclosed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 US disclosed
EP-2051689-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) Henkel AG & Co. KGaA (DE) 2009-04-29 EP disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
EP-2012742-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2009-01-14 EP disclosed
EP-2007343-A1 BLEACHING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2008-12-31 EP disclosed
WO-2008068140-A2 MEANS FOR BRIGHTENING COLOR MODIFICATION OF KERATINIC FIBERS, CONTAINING AN ALKYL PHOSPHORIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2008-06-12 WO disclosed
WO-2008022996-A1 LIGHTENING AGENTS AND/OR COLORANTS CONTAINING POLYOL ESTERS HENKEL AG & CO. KGAA (DE) 2008-02-28 WO disclosed
EP-1892013-A2 Hydrogen peroxide activation with nonionic compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-27 EP disclosed
EP-1891927-A2 Hydrogen peroxide activation with methanol (hetero)aromatic compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-27 EP disclosed
WO-2008019986-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) HENKEL AG & CO. KGAA (DE) 2008-02-21 WO disclosed
EP-1882495-A2 Hydrogen peroxide activation with anionic tensides Henkel Kommanditgesellschaft auf Aktien (DE) 2008-01-30 EP disclosed
EP-1882470-A2 Hydrogen peroxide activation with betaines and/or aminoxides Henkel Kommanditgesellschaft auf Aktien (DE) 2008-01-30 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed
EP-1862198-A2 Brightening and/or dyeing agent with urea derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 2007-12-05 EP disclosed
WO-2007118618-A1 BLEACHING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007118617-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 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 (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-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 PIK3CD 4853/4885CYP2D6 2407/4885SMN1; SMN2 4679/4885

“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.