SCHEMBL987091

SCHEMBL987091

CCCC(NC)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TAS1R3 Q7RTX0 4/20 0.48
TAS1R1 Q7RTX1 4/20 0.48
CYP2D6 P10635 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29391939 0.87 CYP2D6 (0.50) MEN1KMT2AKDM4ECYP2D6SLC6A2
SCHEMBL6128678 0.86 CYP2D6 (0.47) MEN1KMT2AKDM4ECYP2D6SLC6A2
Hydrochloric Acid SCHEMBL30496130 0.86 CYP2D6 (0.49) MEN1KMT2AKDM4ECYP2D6SLC6A2
SCHEMBL11630599 0.83 TAAR1 (0.49) MEN1KMT2AKDM4ECYP2D6SLC6A2
SCHEMBL9271139 0.80 TAS1R3 (0.52) MEN1KMT2ATAS1R3TAS1R1HPGD
SCHEMBL5457069 0.80 RAB9A (0.47) MEN1KMT2AKDM4ETAS1R3TAS1R1
SCHEMBL5493126 0.79 AOC3 (0.53) MEN1KMT2AKDM4ETAS1R3TAS1R1
SCHEMBL22854153 0.79 MEN1 (0.52) MEN1KMT2AKDM4ETAS1R3TAS1R1
SCHEMBL8712770 0.79 AOC3 (0.53) MEN1KMT2AKDM4ETAS1R3TAS1R1
SCHEMBL20976479 0.78 KMT2A (0.59) KMT2ACYP1A2CYP2C9CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901949-B2 Assay ALERE SWITZERLAND GMBH (CH) 2011-03-08 US claimed
CN-112156497-B Liquid-liquid electro-extraction device for enriching trace analytes and capable of realizing two phases of non-aqueous mutual solution and application of liquid-liquid electro-extraction device 南方医科大学 2021-10-12 CN disclosed
CN-112156497-A Liquid-liquid electro-extraction device for enriching trace analytes and capable of realizing two phases of non-aqueous mutual solution and application of liquid-liquid electro-extraction device 南方医科大学 2021-01-01 CN disclosed
EP-1701949-B1 ASSAY FOR ENTACTOGENS SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2018-04-18 EP disclosed
EP-2382458-B1 A CONDUCTIVITY MEASUREMENT CELL SPD SWISS PREC DIAGNOSTICS GMBH (CH) 2018-02-21 EP disclosed
US-9689821-B2 Conductivity measurement cell SPD SWISS PRECISION DIAGNOSTICS GMBH (CH) 2017-06-27 US disclosed
US-9151749-B2 Assay device comprising bubble-forming means ALERE SWITZERLAND GMBH (CH) 2015-10-06 US disclosed
EP-2269067-B1 ASSAY DEVICE COMPRISING BUBBLE-FORMING MEANS SPD SWISS PREC DIAGNOSTICS GMBH (CH) 2015-02-25 EP disclosed
EP-1828106-B1 METHAMPHETAMINE DERIVATIVES AND CONJUGATES FOR IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2012-10-31 EP disclosed
EP-2382458-A2 A CONDUCTIVITY MEASUREMENT CELL SPD Swiss Precision Diagnostics Gmbh (CH) 2011-11-02 EP disclosed
US-7101980-B2 Derivatives, conjugates, and antibodies for detecting ecstasy-class analytes ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-05 US disclosed
US-20060134711-A1 Methamphetamine derivatives and conjugates for immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2006-06-22 US disclosed
WO-2006063829-A2 METHAMPHETAMINE DERIVATIVES AND CONJUGATES FOR IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2006-06-22 WO disclosed
WO-2005059547-A2 ASSAY INVERNESS MEDICAL SWITZERLAND GMBH (CH) 2005-06-30 WO disclosed
EP-1498428-A1 Antibodies for detecting ecstasy-class analytes Roche Diagnostics GmbH (DE) 2005-01-19 EP disclosed
US-20040077021-A1 Derivatives, conjugates, and antibodies for detecting ecstasy-class analytes ROCHE DIAGNOSTICS CORPORATION 2004-04-22 US disclosed
US-20030175995-A1 Compounds, antibodies, reagent kits, methods of producing antibodies, and methods of detecting analytes ROCHE DIAGNOSTICS OPERATIONS, INC. 2003-09-18 US disclosed
US-20030170917-A1 Compounds, antibodies, reagent kits, methods of producing antibodies, and methods of detecting analytes ROCHE DIAGNOSTICS CORPORATION 2003-09-11 US disclosed
EP-1340981-A2 Antibodies for detecting amphetamine derivatives Roche Diagnostics GmbH (DE) 2003-09-03 EP disclosed
EP-1340980-A1 Derivatives of amphetamine, antibodies against said derivatives, reagent kits, methods of producing said antibodies, and methods of detecting said derivatives Roche Diagnostics GmbH (DE) 2003-09-03 EP 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-20060134711-A1 Methamphetamine derivatives and conjugates for immunoassay PNMT, COMT, MCHR1 MEN1 206/4885KMT2A 382/4885KDM4E 1180/4885

“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.