SCHEMBL3204503

SCHEMBL3204503

CC(C)(C)OC(=O)N1CCN(c2cccc3cc(S(=O)(=O)c4cccc(F)c4)cnc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.71
HTR6 P50406 3/20 0.71
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR7 P34969 1/20 0.52
PIK3CA P42336 1/20 0.49
GPR119 Q8TDV5 5/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.40
HPGDS O60760 1/20 0.40
CHRNA7 P36544 1/20 0.39
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
MET P08581 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
SCHEMBL2197307 0.91 HTR2A (0.63) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2197469 0.89 HTR6 (0.56) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2195197 0.87 HTR2A (0.59) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4386582 0.86 HTR6 (0.67) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3649774 0.84 HTR2A (0.59) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3649776 0.84 HTR2A (0.59) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3132360 0.83 HTR6 (1.00) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4701194 0.83 HTR2A (0.51) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4701379 0.81 TGM2 (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3740556 0.81 HTR2A (0.51) HTR2AHTR6HTR1ADRD2HTR7

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
EP-2120950-B1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2010-02-18 US disclosed
US-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2010-02-18 US disclosed
US-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2010-02-18 US disclosed
EP-2120950-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008113818-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2008-09-25 WO disclosed
WO-2008113818-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME GLAXO GROUP LIMITED (GB) 2008-09-25 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 (1 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-20100041672-A1 USE OF QUINOLINE DERIVATIVES IN THE TREATMENT OF PAIN AND IRRITABLE BOWEL SYNDROME HTR6, TPH1, HRH2 HTR2A 16/4885HTR6 1/4885HTR1A 6/4885

“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.