SCHEMBL768767

SCHEMBL768767

Cc1ccc2c(c1)OCC=C2c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.45
NISCH Q9Y2I1 2/20 0.43
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
CSNK1A1 P48729 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL768730 0.80 NISCH (0.42) ADRA2ANISCHALDH1A1MEN1KMT2A
SCHEMBL767558 0.76 ADRA2A (0.57) ADRA2ANISCHPIK3CDPIK3CAPIK3CB
SCHEMBL769047 0.75 ADRA2A (0.40) ADRA2ACYP19A1ALDH1A1MEN1KMT2A
SCHEMBL769277 0.73 ADRA2A (0.37) ADRA2ANISCHALDH1A1MEN1KMT2A
SCHEMBL29466815 0.71 NISCH (0.58) ADRA2ANISCHCYP19A1ALDH1A1MEN1
SCHEMBL4775732 0.71 NISCH (0.58) ADRA2ANISCHCYP19A1ALDH1A1MEN1
SCHEMBL20346473 0.71 CYP19A1 (0.46) ADRA2ACYP19A1ALDH1A1MEN1KMT2A
SCHEMBL2036971 0.70 NISCH (0.56) ADRA2ANISCHCYP19A1ALDH1A1MEN1
SCHEMBL31429683 0.70 NISCH (0.56) NISCHALDH1A1MEN1KMT2AMTOR
SCHEMBL8404596 0.69 CYP19A1 (0.41) ADRA2ACYP19A1ALDH1A1GAAMAPT

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 102/4885NISCH 362/4885PIK3CD 1381/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ADRA2A 106/4885NISCH 362/4885PIK3CD 1248/4885

“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.