SCHEMBL953492

SCHEMBL953492

COc1ccc2ccccc2c1CC1=NCCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.60
TAAR1 Q96RJ0 8/20 0.57
CYP2D6 P10635 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
ADRA2A P08913 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
ADRA1A P35348 2/20 0.57
HTR1A P08908 1/20 0.57
MAPT P10636 1/20 0.57
OPRM1 P35372 1/20 0.57
NFKB1 P19838 2/20 0.52
CYP1A2 P05177 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
FTO Q9C0B1 1/20 0.52
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.47
ADRA1D P25100 1/20 0.47

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
SCHEMBL952489 0.82 TAAR1 (0.66) NISCHTAAR1CYP2D6LMNAMAPK1
SCHEMBL4630126 0.82 TAAR1 (0.54) NISCHTAAR1CYP2D6LMNAMAPK1
SCHEMBL952502 0.82 TAAR1 (0.64) NISCHTAAR1CYP2D6LMNAMAPK1
SCHEMBL953314 0.80 TAAR1 (0.61) NISCHTAAR1CYP2D6LMNAMAPK1
SCHEMBL952212 0.78 TAAR1 (0.59) NISCHTAAR1CYP2D6LMNAMAPK1
Hydrochloric Acid SCHEMBL954417 0.78 TAAR1 (0.62) NISCHTAAR1CYP2D6LMNAMAPK1
SCHEMBL19766698 0.78 MAPT (0.62) MAPTCYP1A2HSD17B10MEN1KMT2A
SCHEMBL954971 0.77 TAAR1 (0.75) NISCHTAAR1CYP2D6LMNAMAPK1
SCHEMBL4629116 0.76 HTR1D (0.64) NISCHTAAR1CYP2D6LMNAMAPK1
SCHEMBL953728 0.76 TAAR1 (0.73) NISCHTAAR1CYP2D6LMNAADRA2A

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-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
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 NISCH 162/4885TAAR1 117/4885CYP2D6 338/4885

“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.