SCHEMBL952800

SCHEMBL952800

CCc1n[nH]c(CC)c1Cc1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.53
HTR1A P08908 1/20 0.53
ALOX15 P16050 1/20 0.38
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
TTR P02766 1/20 0.34
P2RX7 Q99572 2/20 0.33
TERT O14746 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL28277587 0.70 TAAR1 (0.67) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL953295 0.70 TAAR1 (0.50) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL131702 0.69
SCHEMBL952681 0.69 TAAR1 (1.00) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL2104108 0.69 HRH3 (0.41) TAAR1
SCHEMBL957912 0.69 TAAR1 (0.49) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL1679282 0.69 TAAR1 (0.64) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL954645 0.69 TAAR1 (0.65) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL955116 0.68 TAAR1 (0.59) TAAR1HTR1AALOX15ADRA2AADRA2B
SCHEMBL4397237 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 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
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-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP 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
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-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
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
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS 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 (2 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 TAAR1 117/4885HTR1A 15/4885ALOX15 2697/4885
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A TAAR1 79/4885HTR1A 10/4885ALOX15 2148/4885

“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.