SCHEMBL952874

SCHEMBL952874

CC(C1=NCCN1)c1cccc2ccccc12

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.97
ADRA2B P18089 10/20 0.97
ADRA2C P18825 10/20 0.97
NISCH Q9Y2I1 8/20 0.49
ADRA1A P35348 3/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1B P35368 1/20 0.48
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
MAPK1 P28482 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
LMNA P02545 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
OPRM1 P35372 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
SCHEMBL12915758 1.00 ADRA2A (0.97) ADRA2AADRA2BADRA2CNISCHADRA1A
SCHEMBL4629740 0.80 ADRA2A (0.62) ADRA2AADRA2BADRA2CNISCHADRA1A
SCHEMBL953495 0.78 ADRA2A (0.62) ADRA2AADRA2BADRA2CNISCHADRA1A
SCHEMBL953616 0.78 ADRA2A (0.62) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL953164 0.78 ADRA2A (0.62) ADRA2AADRA2BADRA2CNISCHADRA1A
SCHEMBL955054 0.78 ADRA2A (0.62) ADRA2AADRA2BADRA2CNISCHMAOA
Hydrochloric Acid SCHEMBL955836 0.77 ADRA2A (0.65) ADRA2AADRA2BADRA2CNISCHADRA1A
SCHEMBL953137 0.77 ADRA2B (0.67) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL953349 0.76 ADRA2A (0.60) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL955067 0.76 ADRA2A (0.59) ADRA2AADRA2BADRA2CNISCHADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 71/4885ADRA2B 77/4885ADRA2C 58/4885

“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.