SCHEMBL953211

SCHEMBL953211

CCc1cccc2cccc(CBr)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 7/20 0.43
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 2/20 0.38
CYP1B1 Q16678 2/20 0.37
CACNA1C Q13936 1/20 0.37
NSD2 O96028 1/20 0.37
CASP6 P55212 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DAO P14920 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL30598018 0.89 ALDH1A1 (0.45) GABRA1GABRB2ELANECYP1B1ALDH1A1
SCHEMBL3244580 0.89 GABRA1 (0.52) GABRA1GABRB2ELANEKCNH2SCN5A
SCHEMBL28190 0.89 ALDH1A1 (0.45) GABRA1GABRB2ELANECYP1B1ALDH1A1
SCHEMBL5598415 0.81 ALDH1A1 (0.50) GABRA1GABRB2ELANECYP1B1ALDH1A1
SCHEMBL11893017 0.78 GABRA1 (0.54) GABRA1GABRB2ELANECYP1B1NSD2
SCHEMBL31732993 0.78 GABRA1 (0.48) GABRA1GABRB2ELANEKCNH2SCN5A
SCHEMBL13745202 0.78 TSHR (0.36) ELANECYP1B1ALDH1A1CYP1A1CYP1A2
SCHEMBL954995 0.78 GABRA1 (0.48) GABRA1GABRB2ELANEKCNH2SCN5A
SCHEMBL1538927 0.78 ALDH1A1 (0.36) ELANECYP1B1ALDH1A1CYP1A1CYP1A2
SCHEMBL3283526 0.78 ELANE (0.41) GABRA1GABRB2ELANECYP1B1ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556229-B2 Modification of peptides using a bis(thioether)arylbridge approach THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-31 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
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
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.