SCHEMBL953586

SCHEMBL953586

FC(F)(F)c1cccc(CC2=NCCN2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.62
TAAR1 Q96RJ0 7/20 0.59
ADRA2A P08913 4/20 0.59
ADRA2B P18089 4/20 0.59
ADRA2C P18825 4/20 0.59
ADRA1D P25100 4/20 0.59
ADRA1A P35348 4/20 0.59
ADRA1B P35368 4/20 0.59
CYP2D6 P10635 2/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.55
HTR1D P28221 6/20 0.52
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NISCH Q9Y2I1 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
Tolazoline SCHEMBL4629819 0.96 TAAR1 (0.68) HTR1BTAAR1ADRA2AADRA2BADRA2C
SCHEMBL26078572 0.79 HTR1D (0.55) HTR1BTAAR1ADRA2AADRA2BADRA2C
SCHEMBL5827600 0.77 HTR1B (0.68) HTR1BTAAR1ADRA2AADRA2BADRA2C
SCHEMBL14340604 0.77 HTR1B (0.68) HTR1BTAAR1ADRA2AADRA2BADRA2C
SCHEMBL3163279 0.76 NISCH (0.62) HTR1BTAAR1ADRA2AADRA2BADRA2C
SCHEMBL11257533 0.76 MAOA (0.62) TAAR1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL5730148 0.76 MAPT (0.57) CYP2D6LMNACYP1A2
Tolazoline SCHEMBL34961 0.76 TAAR1 (1.00) HTR1BTAAR1ADRA2AADRA2BADRA2C
SCHEMBL26078480 0.75 HTR1D (0.77) HTR1BTAAR1ADRA2AADRA2BADRA2C
SCHEMBL954883 0.75 ADRA1A (0.53) HTR1BTAAR1ADRA2AADRA2BADRA2C

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
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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
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
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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 HTR1B 23/4885TAAR1 117/4885ADRA2A 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.