SCHEMBL779754

SCHEMBL779754

CON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.49
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA3 P22001 1/20 0.39

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
SCHEMBL768875 0.79 RAB9A (0.46) HTR6ALDH1A1LMNACYP2C9
SCHEMBL27762723 0.76 HTR6 (0.46) HTR6ALDH1A1LMNAHTTMAPT
SCHEMBL768912 0.73 HTR6 (0.40) HTR6ALDH1A1LMNAKCNN4KCNA3
SCHEMBL14399667 0.73 HTR6 (0.52) HTR6ALDH1A1LMNAKCNN4KCNA3
SCHEMBL13043255 0.73 HTR6 (0.55) HTR6LMNACYP2C9KCNN4KCNA3
SCHEMBL17158242 0.73 KCNN4 (0.50) ALDH1A1LMNAHTTMAPTCYP2C9
SCHEMBL2513449 0.73 HTR6 (0.48) HTR6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL14181120 0.72 HTR6 (0.46) HTR6LMNACYP2C9CYP3A4CYP2D6
SCHEMBL29325480 0.72 HTR6 (0.46) HTR6ALDH1A1LMNAHTTMAPT
SCHEMBL14211934 0.72 HTR6 (0.46) HTR6LMNACYP2C9CYP3A4CYP2D6

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 HTR6 116/4885ALDH1A1 1716/4885LMNA 1909/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 HTR6 121/4885ALDH1A1 1541/4885LMNA 1894/4885

“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.