SCHEMBL954705

SCHEMBL954705

CCc1ccc(OC)c(CC)c1C=C(Br)Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SLC2A1 P11166 2/20 0.34
DRD2 P14416 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.31
XPO1 O14980 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
PTGS2 P35354 1/20 0.31
GABRB2 P47870 1/20 0.31
TSHR P16473 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
PLIN1 O60240 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
SCHEMBL956660 0.80 ERN1 (0.42) ERN1SLC2A1ALDH1A1TSHRLMNA
SCHEMBL954266 0.79 ABCG2 (0.41) ERN1MTNR1AMTNR1BALDH1A1ALOX5
SCHEMBL955282 0.77 MAPT (0.31) SMN1; SMN2MAPT
SCHEMBL953991 0.77 GABRA1 (0.31) GABRA1GABRB2LMNA
SCHEMBL14999441 0.73 TAAR1 (0.39) HSD17B10SLC2A1PTGS2TSHRMAPT
SCHEMBL953344 0.71 GABRA1 (0.48) CYP3A4GABRA1GABRB2LMNAMAPT
SCHEMBL23192745 0.70 ERN1 (0.60) ERN1ALDH1A1TSHRGLASMN1; SMN2
SCHEMBL2952706 0.70 CA2 (0.43) PTGS2SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL30608695 0.68 ERN1 (0.44) ERN1ALDH1A1TSHRLMNATDP1
SCHEMBL28317013 0.68 GAA (0.41) ALDH1A1CYP3A4TSHRMEN1LMNA

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 9 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
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 (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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B ERN1 4138/4885HSD17B10 1048/4885SLC2A1 366/4885

“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.