SCHEMBL4761139

SCHEMBL4761139

CCc1cccc(C)c1NC1=NCCN1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.75
ADRA2A P08913 9/20 0.56
ADRA2C P18825 8/20 0.56
ADRA2B P18089 7/20 0.56
ADRA1A P35348 5/20 0.56
ADRA1D P25100 3/20 0.56
ADRA1B P35368 3/20 0.56
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
SLC22A1 O15245 1/20 0.54
SLC22A3 O75751 1/20 0.54
HTR1A P08908 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HRH2 P25021 1/20 0.54
CYP2C19 P33261 1/20 0.54
OPRK1 P41145 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
SLC47A1 Q96FL8 1/20 0.54

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
SCHEMBL4762027 0.91 HTR1D (0.64) HTR1DADRA2AADRA2CADRA2BADRA1A
Hydrochloric Acid SCHEMBL11769742 0.90 HTR1D (0.62) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL4760243 0.86 HTR1D (1.00) HTR1DADRA2AADRA2CADRA2BADRA1A
Hydrochloric Acid SCHEMBL29384552 0.85 HTR1D (0.97) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL9070164 0.82 HTR1D (0.56) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL17887765 0.79 HTR1D (0.79) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL11176814 0.79 ADRA2A (0.79) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL4761560 0.77 HTR1D (0.75) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL9069376 0.77 CFB (0.51) HTR1DADRA2AADRA2CADRA2BADRA1A
SCHEMBL16480275 0.74 PTGS2 (0.58) MEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370500-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
EP-1981498-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-la Roche AG (CH) 2008-10-22 EP claimed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO claimed
CN-101370500-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-18 CN disclosed
EP-1981498-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-la Roche AG (CH) 2008-10-22 EP disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
WO-2007090720-A2 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-4025607-A ANALGESICS, HYPOTENSIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-24 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-20070197569-A1 Method for treating central nervous system disorders with substituted 2-imidazoline derivatives CRY1, HTR2C, PER2 HTR1D 52/4885ADRA2A 47/4885ADRA2C 15/4885

“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.