SCHEMBL769030

SCHEMBL769030

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
OXTR P30559 1/20 0.38
AKR1B1 P15121 2/20 0.38
KCNN4 O15554 1/20 0.38
KCNA3 P22001 1/20 0.38
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR6 P50406 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NLRP3 Q96P20 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL768915 0.77 TSHR (0.40) TP53TSHRCYP2C19CYP3A4CYP2D6
SCHEMBL8160205 0.70 OXTR (0.41) TP53TSHROXTRAKR1B1KCNN4
SCHEMBL768921 0.69 HTR2B (0.47) KCNN4KCNA3HTR6
SCHEMBL31368875 0.69 HSD11B1 (0.48) KCNN4KCNA3CYP2C19CYP3A4CYP2D6
SCHEMBL768912 0.68 HTR6 (0.40) KCNN4KCNA3HTR6GAAALDH1A1
SCHEMBL769039 0.67 HTR2B (0.50) KCNN4KCNA3CYP2C19CYP3A4CYP2D6
SCHEMBL6369328 0.66 CYP3A4 (0.62) TP53KCNN4KCNA3CYP2C19CYP3A4
SCHEMBL30733423 0.66 KCNN4 (0.47) OXTRAKR1B1KCNN4KCNA3L3MBTL1
SCHEMBL17969882 0.66 HTR6 (0.46) TSHROXTRAKR1B1KCNN4KCNA3
SCHEMBL653127 0.66 KCNN4 (0.44) OXTRAKR1B1KCNN4KCNA3HTR6

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 9 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
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP 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
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 TP53 4864/4885TSHR 404/4885OXTR 295/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 TP53 4867/4885TSHR 411/4885OXTR 347/4885

“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.