SCHEMBL767558

SCHEMBL767558

Clc1ccc2c(c1)C(c1ncc[nH]1)=CCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.57
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MTOR P42345 2/20 0.32
ADK P55263 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
PIK3CD O00329 1/20 0.32
MAOB P27338 2/20 0.32
CYP19A1 P11511 1/20 0.32
MAPT P10636 2/20 0.31
THRB P10828 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL769047 0.81 ADRA2A (0.40) ADRA2ANPC1RAB9AALDH1A1MEN1
SCHEMBL768730 0.80 NISCH (0.42) ADRA2AIDO1ALDH1A1MEN1KMT2A
SCHEMBL768951 0.78 ADRA2A (0.57) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL768767 0.76 ADRA2A (0.45) ADRA2APIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL769329 0.73 ADRA2A (0.57) ADRA2AIDO1ALDH1A1MEN1KMT2A
SCHEMBL29222586 0.73 ADRA2A (0.57) ADRA2APIK3CAPIK3CBPIK3CGMAOB
SCHEMBL769031 0.73 ADRA2A (1.00) ADRA2AIDO1CYP19A1ADRA2BADRA2C
SCHEMBL30543417 0.73 ADRA2A (0.57) ADRA2APIK3CAPIK3CBPIK3CGMAOB
SCHEMBL4642439 0.71 CYP11B2 (0.39) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL31429694 0.70 IDO1 (0.51) NPC1RAB9AIDO1ALDH1A1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
CN-101374517-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 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-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US 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
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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 (2 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ADRA2A 102/4885PIK3CA 1779/4885PIK3CB 1805/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ADRA2A 106/4885PIK3CA 1939/4885PIK3CB 1969/4885

“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.