SCHEMBL779575

SCHEMBL779575

C1=C(c2cnc[nH]2)c2ccccc2CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.58
ADRA2B P18089 4/20 0.58
CYP19A1 P11511 4/20 0.49
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
NPY5R Q15761 1/20 0.48
IDO1 P14902 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1A P35348 2/20 0.47

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
SCHEMBL26786011 0.72 CYP11B2 (0.42) CYP19A1CYP11B1CYP11B2
SCHEMBL769248 0.71 ADRA2A (0.67) ADRA2AADRA2BIDO1ADRA2CADRA1A
SCHEMBL4132334 0.70 CYP11B2 (0.56) CYP19A1CYP11B1CYP11B2NPY5R
SCHEMBL26785982 0.70 CYP11B2 (0.57) CYP19A1CYP11B1CYP11B2NPY5R
SCHEMBL768847 0.69 PDPK1 (0.34) CYP19A1CYP11B1CYP11B2NPY5R
SCHEMBL779679 0.69 NISCH (0.43) ADRA2ACYP19A1CYP11B1CYP11B2NPY5R
SCHEMBL459641 0.69 CES1 (0.40) CYP19A1CYP11B1CYP11B2NPY5R
SCHEMBL29987608 0.69 CES1 (0.40) CYP19A1CYP11B1CYP11B2NPY5R
SCHEMBL5348866 0.68 KDR (0.47) CYP19A1
SCHEMBL31140103 0.67 ADRA2A (0.63) ADRA2AADRA2BIDO1ADRA2CADRA1A

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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ADRA2A 102/4885ADRA2B 134/4885CYP19A1 288/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ADRA2A 106/4885ADRA2B 125/4885CYP19A1 310/4885

“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.