SCHEMBL953759

SCHEMBL953759

CCC(C1=NCCN1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 6/20 0.46
ADRA2A P08913 5/20 0.46
SLC6A4 P31645 3/20 0.46
KCNH2 Q12809 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
SLC6A2 P23975 2/20 0.46
HRH2 P25021 2/20 0.46
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRA1A P35348 2/20 0.46
HTR1A P08908 2/20 0.46
OPRK1 P41145 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46

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 0.86 NISCH (0.45) ADRA2BADRA2ANISCHMAOAMAOB
SCHEMBL954219 0.85 NISCH (0.56) ADRA2BADRA2AHTR2AHRH1NISCH
SCHEMBL954644 0.84 NISCH (0.44) ADRA2BADRA2AHTR1ANISCHMAOA
SCHEMBL954357 0.82 ADRA2A (0.44) ADRA2BADRA2ASLC6A4KCNH2SLC6A2
SCHEMBL954816 0.81 NISCH (0.48) ADRA2BADRA2AADRA1AADRA1DNISCH
SCHEMBL4630272 0.77 ADRA2A (0.50) ADRA2BADRA2ASLC6A4KCNH2ADRA1A
SCHEMBL2490434 0.76 LMNA (0.46) ADRA2BADRA2ASLC6A4KCNH2ADRA1A
Hydrochloric Acid SCHEMBL2490432 0.74 LMNA (0.49) ADRA2BADRA2ASLC6A4KCNH2ADRA1A
SCHEMBL957261 0.74 MAOA (0.43) ADRA2BADRA2AHTR1ANISCHMAOA
SCHEMBL954868 0.74 ADRA2A (0.46) ADRA2BADRA2ANISCHMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ADRA2B 77/4885ADRA2A 71/4885SLC6A4 84/4885

“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.