SCHEMBL952668

SCHEMBL952668

COc1cc(C)c(CC2=NCCN2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.71
HTR1B P28222 10/20 0.71
ADRA2A P08913 5/20 0.66
HTR1A P08908 4/20 0.66
ADRA2B P18089 4/20 0.66
ADRA2C P18825 4/20 0.66
ADRA1D P25100 4/20 0.66
ADRA1A P35348 4/20 0.66
ADRA1B P35368 4/20 0.66
LMNA P02545 3/20 0.66
CYP2D6 P10635 3/20 0.66
TSHR P16473 3/20 0.66
CHRM2 P08172 2/20 0.66
CHRM1 P11229 2/20 0.66
HTR2A P28223 2/20 0.66
HTR2C P28335 2/20 0.66
DRD3 P35462 2/20 0.66
HTR2B P41595 2/20 0.66
TP53 P04637 1/20 0.66
DRD2 P14416 1/20 0.66

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
SCHEMBL953076 0.83 HTR1D (1.00) HTR1DHTR1BADRA2AHTR1AADRA2B
Hydrochloric Acid SCHEMBL7969470 0.82 HTR1D (0.97) HTR1DHTR1BADRA2AHTR1AADRA2B
SCHEMBL7982884 0.81 HTR1D (1.00) HTR1DHTR1BADRA2AHTR1AADRA2B
SCHEMBL953638 0.81 HTR1D (0.76) HTR1DHTR1BADRA2AHTR1AADRA2B
SCHEMBL26078561 0.81 HTR1D (0.76) HTR1DHTR1BADRA2AHTR1AADRA2B
Xylometazoline SCHEMBL34087 0.79 HTR1D (1.00) HTR1DHTR1BADRA2AHTR1AADRA2B
Hydrochloric Acid SCHEMBL7982906 0.79 HTR1D (0.97) HTR1DHTR1BADRA2AHTR1AADRA2B
SCHEMBL7983163 0.78 HTR1D (1.00) HTR1DHTR1BADRA2AHTR1AADRA2B
Xylometazoline SCHEMBL871223 0.78 HTR1D (0.97) HTR1DHTR1BADRA2AHTR1AADRA2B
Xylometazoline SCHEMBL3297417 0.78 HTR1D (0.97) HTR1DHTR1BADRA2AHTR1AADRA2B

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 HTR1D 28/4885HTR1B 23/4885ADRA2A 71/4885

“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.