SCHEMBL768912

SCHEMBL768912

Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ncc[nH]3)c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2B P41595 2/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNN4 O15554 1/20 0.36
KCNA3 P22001 1/20 0.36
TERT O14746 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL768921 0.80 HTR2B (0.47) HTR6HTR2BKCNN4KCNA3DRD3
SCHEMBL769039 0.77 HTR2B (0.50) HTR6HTR2BALDH1A1SMN1; SMN2KCNN4
SCHEMBL779754 0.73 HTR6 (0.49) HTR6ALDH1A1KCNN4KCNA3LMNA
SCHEMBL768875 0.72 RAB9A (0.46) HTR6RAB9AALDH1A1USP2LMNA
SCHEMBL14399667 0.70 HTR6 (0.52) HTR6ALDH1A1SMN1; SMN2KCNN4KCNA3
SCHEMBL13043255 0.70 HTR6 (0.55) HTR6KCNN4KCNA3LMNAGAA
SCHEMBL27762723 0.70 HTR6 (0.46) HTR6NPC1ALDH1A1SMN1; SMN2KCNN4
SCHEMBL2513449 0.70 HTR6 (0.48) HTR6ALDH1A1SMN1; SMN2KCNN4KCNA3
SCHEMBL14181120 0.69 HTR6 (0.46) HTR6NPC1SMN1; SMN2KCNN4KCNA3
SCHEMBL29325480 0.69 HTR6 (0.46) HTR6ALDH1A1SMN1; SMN2KCNN4KCNA3

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 7 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-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
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 116/4885NPC1 159/4885RAB9A 625/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 HTR6 121/4885NPC1 168/4885RAB9A 662/4885

“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.