SCHEMBL955970

SCHEMBL955970

c1cc(Cn2ccnc2)c2cocc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
CYP11B1 P15538 9/20 0.51
CYP11B2 P19099 7/20 0.51
CYP19A1 P11511 12/20 0.49
CYP17A1 P05093 1/20 0.49
TBXAS1 P24557 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
QPCT Q16769 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45

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
SCHEMBL8866026 0.81 POLB (1.00) POLBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL29908918 0.81 POLB (0.81) POLBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15179016 0.75 CYP11B1 (0.76) POLBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL30523908 0.75 CYP11B1 (0.76) POLBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL30523909 0.75 CYP11B1 (0.76) POLBCYP11B1CYP11B2CYP19A1CYP17A1
Oxalic Acid SCHEMBL11010176 0.74 POLB (0.83) POLBCYP11B1CYP11B2CYP19A1CYP17A1
Succinic Acid SCHEMBL11013132 0.72 POLB (0.79) POLBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL2775375 0.71 POLB (0.66) POLBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL11555502 0.70 POLB (0.68) POLBCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL241 0.69 CYP11B1 (0.67) POLBCYP11B1CYP11B2CYP19A1CYP17A1

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 5 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
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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
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 POLB 2769/4885CYP11B1 6/4885CYP11B2 9/4885

“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.