SCHEMBL953393

SCHEMBL953393

C=Cc1cccc2cccc(C(=O)OCC)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
CDC25B P30305 3/20 0.50
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK10 P53779 1/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
NCOA1 Q15788 1/20 0.44

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
SCHEMBL3681837 0.84 TSHR (0.68) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL2002577 0.83 TSHR (0.67) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL30385424 0.83 TSHR (0.67) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL18526159 0.82 TSHR (0.66) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL21052524 0.82 TSHR (0.56) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL23294946 0.81 ALDH1A1 (0.55) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL2942233 0.81 TSHR (0.54) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL21845577 0.80 TSHR (0.61) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL28351196 0.79 TSHR (0.53) TSHRCDC25BCDC25ACDC25CALDH1A1
SCHEMBL11270794 0.79 TSHR (0.66) TSHRCDC25BCDC25ACDC25CALDH1A1

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 18 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
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 TSHR 23/4885CDC25B 1297/4885CDC25A 929/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B TSHR 222/4885CDC25B 512/4885CDC25A 449/4885

“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.