SCHEMBL9502826

SCHEMBL9502826

NCCOc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNA4 P43681 1/20 0.61
TAAR1 Q96RJ0 2/20 0.57
DRD2 P14416 2/20 0.53
DRD4 P21917 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53
APP P05067 1/20 0.51
LTA4H P09960 1/20 0.50
PLA2G2A P14555 1/20 0.50
ESR1 P03372 1/20 0.49
CYP19A1 P11511 1/20 0.49
ESR2 Q92731 1/20 0.49
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
DRD1 P21728 1/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47

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
Hydrochloric Acid SCHEMBL1436655 0.98 CHRNB2 (0.59) CHRNB2CHRNA4TAAR1DRD2DRD4
SCHEMBL20978768 0.90 CHRNB2 (0.59) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL3735506 0.89 CHRNB2 (0.57) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL1470185 0.87 CHRNB2 (0.69) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL29510932 0.87 CHRNB2 (0.69) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL8916326 0.87 CHRNB2 (0.56) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL8765012 0.87 CHRNB2 (0.56) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL11231915 0.85 CHRNB2 (0.67) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL7089196 0.85 CHRNB2 (0.67) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL9107098 0.85 TAAR1 (0.70) TAAR1LTA4HPLA2G2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018031941-A1 HAIR COLORING COMPOSITION FOR PROVIDING A FILM ON KERATIN FIBERS NOXELL CORPORATION (US) 2018-02-15 WO disclosed
WO-2017189595-A1 HAIR TREATMENT METHOD AND KIT THEREOF NOXELL CORPORATION (US) 2017-11-02 WO disclosed
WO-2017189601-A1 HAIR TREATMENT METHOD AND KIT THEREOF NOXELL CORPORATION (US) 2017-11-02 WO disclosed
EP-2828238-B1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP ZOO (PL) 2016-05-25 EP disclosed
WO-2015095052-A1 ISOINDOLIN-1-ONES AS MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) INHIBITORS CONTROLLED CHEMICALS, INC. (US) 2015-06-25 WO disclosed
US-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 US disclosed
EP-2828238-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES Adamed Sp. z o.o. (PL) 2015-01-28 EP disclosed
CN-104220421-A Sulfonamide derivatives of benzylamine for the treatment of central nervous system disorders ADAMED SP ZOO 2014-12-17 CN disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
WO-2013140347-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2013-09-26 WO disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
EP-0548307-A1 PROCESS FOR THE OXIDATIVE COLOURING OF HAIR Wella Aktiengesellschaft (DE) 1993-06-30 EP disclosed
WO-1993001792-A1 PROCESS FOR THE OXIDATIVE COLOURING OF HAIR WELLA AKTIENGESELLSCHAFT (DE) 1993-02-04 WO disclosed
WO-1983001771-A1 DERIVATIVES OF 2-HYDROXY-4-AMINO-BENZENE, PREPARATION THEREOF AND HAIR DYE CONTAINING SUCH DERIVATIVES KONRAD, EUGEN 1983-05-26 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 (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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES AQP4, BCL6, STS CHRNB2 469/4885CHRNA4 227/4885TAAR1 861/4885
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 CHRNB2 1666/4885CHRNA4 1046/4885TAAR1 1564/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO CHRNB2 4265/4885CHRNA4 4027/4885TAAR1 2305/4885

“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.