SCHEMBL954883

SCHEMBL954883

Fc1ccc(C(F)(F)F)cc1CC1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.53
ADRA2A P08913 7/20 0.53
ADRA2B P18089 6/20 0.53
ADRA2C P18825 6/20 0.53
ADRA1D P25100 5/20 0.53
ADRA1B P35368 5/20 0.53
HTR1D P28221 5/20 0.53
HTR1B P28222 5/20 0.53
TAAR1 Q96RJ0 7/20 0.50
NISCH Q9Y2I1 2/20 0.44
CYP2D6 P10635 4/20 0.43
LMNA P02545 3/20 0.43
HTR1A P08908 3/20 0.43
MAPK1 P28482 3/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
OPRM1 P35372 1/20 0.43
TP53 P04637 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL26078575 0.84 ADRA2A (0.53) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078567 0.84 HTR1D (0.63) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078496 0.83 HTR1D (0.58) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078480 0.83 HTR1D (0.77) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078576 0.82 ADRA2A (0.56) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL953491 0.79 NISCH (0.54) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078495 0.79 ADRA1A (0.52) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078492 0.78 ADRA1A (0.51) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078519 0.76 ADRA1A (0.49) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL26078485 0.76 ADRA1A (0.49) ADRA1AADRA2AADRA2BADRA2CADRA1D

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 9 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
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

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 ADRA1A 75/4885ADRA2A 71/4885ADRA2B 77/4885

“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.