SCHEMBL955339

SCHEMBL955339

CCOC(OCC)c1ncc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
F2RL1 P55085 11/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TXN P10599 1/20 0.36
TXNRD1 Q16881 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12233230 0.82 TXN (0.39) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL14752978 0.82 TXN (0.39) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL12207170 0.79 TXN (0.37) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL12234738 0.79 TXN (0.37) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL7277265 0.79 CYP1A2 (0.38) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL9085766 0.77 ALDH1A1 (0.41) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL9638815 0.77 F2RL1 (0.33) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL6285851 0.74 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3602253 0.72 TXN (0.43) FPR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL13066227 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018213821-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY (US) 2018-11-22 WO claimed
US-20240175141-A1 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. 2024-05-30 US disclosed
WO-2024081967-A2 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. (US) 2024-04-18 WO disclosed
EP-3455212-A1 INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 Heptares Therapeutics Limited (GB) 2019-03-20 EP disclosed
WO-2018213821-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY (US) 2018-11-22 WO disclosed
WO-2017194716-A1 INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 ASTRAZENECA AB (SE) 2017-11-16 WO disclosed
CN-103193828-B Double-imidazole imide nickel hydroxide coordination complex as well as preparation method and application thereof UNIV NORTHWESTERN 2015-04-15 CN disclosed
CN-102659682-B Imidazole side chain half-metallocene imine ligand, and method and application thereof UNIV NORTHWESTERN 2014-07-09 CN disclosed
CN-103193828-A Double-imidazole imide nickel hydroxide coordination complex as well as preparation method and application thereof UNIV NORTHWESTERN 2013-07-10 CN disclosed
CN-102659682-A Imidazole side chain half-metallocene imine ligand, and method and application thereof UNIV NORTHWESTERN 2012-09-12 CN disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-1200457-A2 CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-05-02 EP disclosed
WO-2001009169-A2 CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2001-02-08 WO disclosed
EP-0708776-A1 ANTIALLERGIC IMIDAZOAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-01 EP disclosed
WO-1995002600-A1 ANTIALLERGIC IMIDAZOAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 1995-01-26 WO disclosed
EP-0592490-A4 AMINO ACID DERIVATIVE ANTICONVULSANT RES CORP TECHNOLOGIES INC (US) 1994-08-17 EP disclosed
EP-0592490-A1 AMINO ACID DERIVATIVE ANTICONVULSANT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-20 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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B FPR2 4496/4885CYP1A2 38/4885CYP3A4 118/4885

“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.