SCHEMBL956496

SCHEMBL956496

CC(c1ncc[nH]1)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.61
ADRA2C P18825 3/20 0.61
ADRA2B P18089 2/20 0.61
F2RL1 P55085 6/20 0.50
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
KMT2A Q03164 1/20 0.40
PAK1 Q13153 1/20 0.38
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
FPR2 P25090 1/20 0.37
VDR P11473 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL697099 0.87 ADRA2A (0.58) ADRA2AADRA2CADRA2BF2RL1ADRA1D
SCHEMBL702854 0.87 ADRA2A (0.58) ADRA2AADRA2CADRA2BF2RL1ADRA1D
SCHEMBL698504 0.82 ADRA2A (0.53) ADRA2AADRA2CADRA2BF2RL1ADRA1D
SCHEMBL1573137 0.81 ADRA2A (0.48) ADRA2AADRA2CADRA2BF2RL1TAAR1
SCHEMBL695993 0.81 ADRA2A (0.48) ADRA2AADRA2CADRA2BF2RL1TAAR1
SCHEMBL954638 0.80 ADRA2A (0.61) ADRA2AADRA2CADRA2BF2RL1ADRA1D
SCHEMBL9414539 0.80 ADRA2A (0.61) ADRA2AADRA2CADRA2BF2RL1TAAR1
SCHEMBL698495 0.80 ADRA2A (0.47) ADRA2AADRA2CADRA2BF2RL1NISCH
SCHEMBL702593 0.80 ADRA2A (0.57) ADRA2AADRA2CADRA2BF2RL1ADRA1D
SCHEMBL954913 0.79 ADRA2A (0.60) ADRA2AADRA2CADRA2BF2RL1ADRA1A

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
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 ADRA2A 71/4885ADRA2C 58/4885ADRA2B 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.