SCHEMBL4053243

SCHEMBL4053243

Cc1ccc2c(n1)CC(Cc1c[nH]cn1)CC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
CYP19A1 P11511 3/20 0.30

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
SCHEMBL12092459 0.79 CYP19A1 (0.40) DRD2CYP19A1
SCHEMBL1758076 0.79 CYP19A1 (0.40) DRD2CYP19A1
SCHEMBL12092438 0.79 CYP19A1 (0.40) DRD2CYP19A1
Hydrochloric Acid SCHEMBL1757938 0.78 CYP19A1 (0.39) DRD2CYP19A1
SCHEMBL7800746 0.78 CYP19A1 (0.41) CYP19A1
SCHEMBL7797550 0.76
SCHEMBL337755 0.75 CYP19A1 (0.54) CYP19A1
SCHEMBL1339080 0.75 CYP19A1 (0.54) CYP19A1
SCHEMBL346472 0.75 CYP19A1 (0.54) CYP19A1
SCHEMBL924550 0.74 DRD2 (0.32) DRD2DRD1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569584-B2 4-(2-methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2b agonist and methods of using the same ALLERGAN, INC. (US) 2009-08-04 US disclosed
US-7569584-B2 4-(2-methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2b agonist and methods of using the same ALLERGAN, INC. (US) 2009-08-04 US disclosed
US-7569584-B2 4-(2-methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2b agonist and methods of using the same ALLERGAN, INC. (US) 2009-08-04 US disclosed
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ALLERGAN, INC. 2008-03-20 US disclosed
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ALLERGAN, INC. 2008-03-20 US disclosed
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ALLERGAN, INC. 2008-03-20 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
WO-2006036404-A1 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYLOALKYLMETHYL) IMIDAZOL-2-ONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
US-20050075366-A1 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same ALLERGAN, INC. 2005-04-07 US 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-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ADRB2, ADRA2C, ADRA2B DRD2 274/4885DRD1 610/4885CYP19A1 1956/4885
US-20050075366-A1 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same ADRB2, ADRA2C, ADRA2B DRD2 274/4885DRD1 610/4885CYP19A1 1956/4885

“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.