SCHEMBL3311238

SCHEMBL3311238

CC(CCC(=O)N(C)C)C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNB4 P30926 3/20 0.50
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.38
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33

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
SCHEMBL2557841 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4ALDH1A1CYP1A2
SCHEMBL12410076 0.82 CYP1A2 (0.60) CHRNB2CHRNA4CHRNB4CYP1A2GABRP
SCHEMBL15314151 0.82 CYP1A2 (0.60) CHRNB2CHRNA4CHRNB4CYP1A2GABRP
SCHEMBL26373651 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4ALDH1A1CYP1A2
SCHEMBL12410078 0.82 CYP1A2 (0.60) CHRNB2CHRNA4CHRNB4ALDH1A1CYP1A2
SCHEMBL12410139 0.80 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4ALDH1A1CYP1A2
SCHEMBL4955330 0.80 DPP4 (0.41) CHRNB2CHRNA4CHRNB4CYP1A2GABRP
SCHEMBL12410135 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4ALDH1A1CYP1A2
SCHEMBL23055054 0.78 CA1 (0.43) CHRNB2CHRNA4CHRNB4ALDH1A1CYP1A2
SCHEMBL1517765 0.78 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4ALDH1A1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240147998-A1 HERBICIDAL COMPOSITIONS COMPRISING IMIDAZOLINONE-BASED ACETOLACTATE SYNTHASE INHIBITORS AND USES THEREOF ADAMA AGAN LTD. (IL) 2024-05-09 US disclosed
US-20230309560-A1 SOLUBLE LIQUID COMPOSITIONS OF SAFLUFENACIL, METHOD OF PREPARATION AND USE THEREOF ADAMA AGAN LTD. (IL) 2023-10-05 US disclosed
US-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME APTINYX INC (US) 2023-07-06 US disclosed
US-20230192693-A1 SPIRO-LACTAM NMDA MODULATORS AND METHODS OF USING SAME TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2023-06-22 US disclosed
US-9392785-B2 Use of esteramides as solvents, novel esteramides and process for preparing esteramides RHODIA OPERATIONS (FR) 2016-07-19 US disclosed
US-9392785-B2 Use of esteramides as solvents, novel esteramides and process for preparing esteramides RHODIA OPERATIONS (FR) 2016-07-19 US disclosed
EP-2102148-B1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2015-09-16 EP disclosed
EP-2102148-B1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2015-09-16 EP disclosed
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES RHODIA OPERATIONS (FR) 2014-08-07 US disclosed
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES RHODIA OPERATIONS (FR) 2014-08-07 US disclosed
EP-2347652-A1 Esteramides, their preparation and their use Rhodia Opérations (FR) 2011-07-27 EP disclosed
US-20110166025-A1 ESTERAMIDE SOLVENTS/COALESCING AGENTS IN PHYTOSANITARY, CLEANING, DEGREASING, STRIPPING, LUBRICATING, COATING, AND PIGMENT/INK COMPOSITIONS RHODIA OPERATIONS (FR) 2011-07-07 US disclosed
US-20110166025-A1 ESTERAMIDE SOLVENTS/COALESCING AGENTS IN PHYTOSANITARY, CLEANING, DEGREASING, STRIPPING, LUBRICATING, COATING, AND PIGMENT/INK COMPOSITIONS RHODIA OPERATIONS (FR) 2011-07-07 US disclosed
WO-2011036421-A1 ORGANIC PHOTOVOLTAIC COATINGS WITH CONTROLLED MORPHOLOGY RHODIA OPERATIONS (FR) 2011-03-31 WO disclosed
US-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF SPECIALTY OPERATIONS FRANCE (FR) 2010-05-06 US disclosed
US-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF SPECIALTY OPERATIONS FRANCE (FR) 2010-05-06 US disclosed
US-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF SPECIALTY OPERATIONS FRANCE (FR) 2010-05-06 US disclosed
EP-2102148-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF Rhodia Opérations (FR) 2009-09-23 EP disclosed
WO-2008074837-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2008-06-26 WO disclosed
WO-2008074837-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND USES THEREOF RHODIA OPERATIONS (FR) 2008-06-26 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 (7 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-20110166025-A1 ESTERAMIDE SOLVENTS/COALESCING AGENTS IN PHYTOSANITARY, CLEANING, DEGREASING, STRIPPING, LUBRICATING, COATING, AND PIGMENT/INK COMPOSITIONS ACHE, ITCH, SORT1 CHRNB2 2883/4885CHRNA4 4509/4885CHRNB4 3852/4885
US-20240147998-A1 HERBICIDAL COMPOSITIONS COMPRISING IMIDAZOLINONE-BASED ACETOLACTATE SYNTHASE INHIBITORS AND USES THEREOF PPOX, ACOX1, PAOX CHRNB2 4152/4885CHRNA4 3817/4885CHRNB4 4185/4885
US-20230309560-A1 SOLUBLE LIQUID COMPOSITIONS OF SAFLUFENACIL, METHOD OF PREPARATION AND USE THEREOF SLCO4C1, OTC, SORD CHRNB2 4438/4885CHRNA4 4198/4885CHRNB4 4606/4885
US-20230210851-A1 SPIRO-LACTAM COMPOUNDS AND METHODS OF TREATING VIRAL INFECTIONS USING THE SAME ACE, ACE2, PREP CHRNB2 4866/4885CHRNA4 4835/4885CHRNB4 4845/4885
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES NOTUM, FADS2, CERS2 CHRNB2 3773/4885CHRNA4 3978/4885CHRNB4 4240/4885
US-20230192693-A1 SPIRO-LACTAM NMDA MODULATORS AND METHODS OF USING SAME GRIN1, GRIN2A, GRIN2C CHRNB2 378/4885CHRNA4 96/4885CHRNB4 360/4885
US-20100113279-A1 NOVEL BIS(DIALKYLAMIDE) COMPOUNDS AND DIVERSE APPLICATIONS THEREOF C1R, CBR3, CWC15 CHRNB2 2978/4885CHRNA4 1757/4885CHRNB4 2156/4885

“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.