SCHEMBL954995

SCHEMBL954995

CCc1cccc2cccc(CO)c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 4/20 0.48
ELANE P08246 2/20 0.40
DAO P14920 1/20 0.40
CYP2C19 P33261 1/20 0.39
HTR2A P28223 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
ACP3 P15309 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL31732993 1.00 GABRA1 (0.48) GABRA1GABRB2ELANEDAOCYP2C19
SCHEMBL3244580 0.89 GABRA1 (0.52) GABRA1GABRB2ELANEDAOHTR2A
SCHEMBL29384962 0.89 CYP1A2 (0.45) CYP2C19HTR2AALDH1A1PDCD1CD274
SCHEMBL27015 0.89 CYP1A2 (0.45) CYP2C19HTR2AALDH1A1PDCD1CD274
SCHEMBL31733100 0.83 HTR2A (0.44) GABRA1GABRB2ELANEDAOCYP2C19
SCHEMBL7885384 0.79 TDP1 (0.36) GABRA1GABRB2CYP2C19HTR2AALDH1A1
SCHEMBL3960209 0.78 HTR2A (0.59) GABRA1GABRB2ELANEDAOHTR2A
SCHEMBL3834629 0.78 ALDH1A1 (0.43) CYP2C19HTR2AALDH1A1PDCD1CD274
SCHEMBL7930885 0.78 HTR2A (0.42) CYP2C19HTR2AALDH1A1PDCD1CD274
SCHEMBL15345342 0.78 GABRA1 (0.43) GABRA1GABRB2ELANEDAOALDH1A1

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 20 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
US-7812047-B2 4-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-10-12 US disclosed
US-7812047-B2 4-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-10-12 US disclosed
US-7812047-B2 4-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-10-12 US disclosed
EP-2173719-A1 4-IMIDAZOLINES AND THEIR USE AS ANTIDEPRESSANTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
CN-101687811-A 4-imidazolines and as the application of antidepressive HOFFMANN LA ROCHE 2010-03-31 CN disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
US-20090012138-A1 4-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012138-A1 4-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012138-A1 4-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 US disclosed
WO-2009003867-A1 4-IMIDAZOLINES AND THEIR USE AS ANTIDEPRESSANTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO disclosed
WO-2009003867-A1 4-IMIDAZOLINES AND THEIR USE AS ANTIDEPRESSANTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO 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 (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-20090012138-A1 4-IMIDAZOLINES TAAR1, TAAR5, GPR119 GABRA1 78/4885GABRB2 123/4885ELANE 4843/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B GABRA1 270/4885GABRB2 119/4885ELANE 4442/4885

“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.