SCHEMBL198459

SCHEMBL198459

N#CC(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM2 P08172 9/20 0.45
CHRM3 P20309 9/20 0.45
CYP2D6 P10635 3/20 0.44
CHRM1 P11229 2/20 0.44
KCNH2 Q12809 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
HRH1 P35367 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP3A4 P08684 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
SCHEMBL12531908 1.00 MAPT (0.52) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL9193099 0.82 MAPT (0.52) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL27700604 0.82 KEAP1 (0.54) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL27821813 0.82 KEAP1 (0.54) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL2062914 0.80 KEAP1 (0.56) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL4889259 0.80 KEAP1 (0.51) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL2062409 0.80 KEAP1 (0.56) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL28606057 0.79 MAPT (0.41) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL10954780 0.79 CHRM3 (0.48) MAPTNPSR1KEAP1NFE2L2L3MBTL1
SCHEMBL4470158 0.78 KEAP1 (0.44) MAPTNPSR1KEAP1NFE2L2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038419-A1 Assays and kits for detecting the presence of nitriles and/or cyanide DIVERSA CORPORATION 2004-02-26 US claimed
WO-2003098187-A2 ASSAYS AND KITS FOR DETECTING THE PRESENCE OF NITRILES AND/OR CYANIDE DIVERSA CORPORATION (US) 2003-11-27 WO claimed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
CN-105296512-A Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC 2016-02-03 CN disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
US-20040038419-A1 Assays and kits for detecting the presence of nitriles and/or cyanide DIVERSA CORPORATION 2004-02-26 US disclosed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
WO-2003098187-A2 ASSAYS AND KITS FOR DETECTING THE PRESENCE OF NITRILES AND/OR CYANIDE DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 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 (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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 MAPT 2758/4885NPSR1 716/4885KEAP1 2794/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 MAPT 1820/4885NPSR1 618/4885KEAP1 2386/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS MAPT 3670/4885NPSR1 715/4885KEAP1 1612/4885

“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.