SCHEMBL954219

SCHEMBL954219

CCC(C1=NCCN1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.56
MAOA P21397 7/20 0.55
MAOB P27338 7/20 0.55
ADRA2A P08913 5/20 0.54
ADRA2B P18089 5/20 0.54
ADRA2C P18825 5/20 0.54
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL954708 0.87 NISCH (0.45) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL953296 0.87 NISCH (0.53) NISCHMAOAMAOBADRA2AADRA2B
Hydrochloric Acid SCHEMBL954763 0.85 NISCH (0.51) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL953759 0.85 ADRA2B (0.46) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL954644 0.85 NISCH (0.44) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL4630272 0.84 ADRA2A (0.50) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL954357 0.84 ADRA2A (0.44) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL957261 0.84 MAOA (0.43) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL954868 0.84 ADRA2A (0.46) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL8234345 0.84 MAOA (0.43) NISCHMAOAMAOBADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
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 claimed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES 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
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
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-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES 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 (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 NISCH 162/4885MAOA 29/4885MAOB 17/4885

“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.