SCHEMBL3553313

SCHEMBL3553313

O=S(=O)(c1cccc(Cl)c1)c1n[nH]c2ccc(OC3CCNCC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.48
HTR2C P28335 4/20 0.48
HTR2B P41595 3/20 0.48
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
HTR7 P34969 2/20 0.48
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKG1 Q13976 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
Q6ZSR9 Q6ZSR9 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
KCNH2 Q12809 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
SCHEMBL3554580 0.89 HTR6 (0.46) HTR6HTR2CHTR2BROCK1ROCK2
SCHEMBL3551530 0.88 HRH1 (0.46) HTR6HTR2CROCK1ROCK2PRKACA
SCHEMBL3546433 0.88 HTR6 (0.49) HTR6HTR2CHTR2BROCK1ROCK2
SCHEMBL3551475 0.88 HTR6 (0.48) HTR6HTR2CHTR2BHTR1AHTR1D
SCHEMBL3558454 0.87 TTK (0.47) HTR6HTR2CHTR2BROCK1ROCK2
SCHEMBL3552105 0.85 AKR1B1 (0.42) HTR6HTR2CROCK1ROCK2PRKACA
SCHEMBL3554983 0.82 HRH1 (0.39) HTR6ROCK1ROCK2PRKACAPRKCD
SCHEMBL3554390 0.82 HTR6 (0.51) HTR6HTR2CHTR2BROCK1ROCK2
SCHEMBL3558782 0.82 HTR6 (0.72) HTR6HTR2CHTR2BHTR1AHTR1D
SCHEMBL3548815 0.82 HTR6 (0.48) HTR6HTR2CHTR2BHTR1AHTR1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US claimed
US-20070054896-A1 Serotonin (5-HT6) receptor ligands such as 3-(1-naphthylsulfonyl)-5-(piperidin-4-yloxy)-1H-indazole, used for the treatment nervous sytem disorders such as attention deficit disorder, anxiety, epilepsy, depression, schizophrenia, obsessive compulsive, sleep, eating and neurodegenerative disorders WYETH (US) 2007-03-08 US claimed
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US disclosed
US-20070054896-A1 Serotonin (5-HT6) receptor ligands such as 3-(1-naphthylsulfonyl)-5-(piperidin-4-yloxy)-1H-indazole, used for the treatment nervous sytem disorders such as attention deficit disorder, anxiety, epilepsy, depression, schizophrenia, obsessive compulsive, sleep, eating and neurodegenerative disorders WYETH (US) 2007-03-08 US 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-20070054896-A1 Serotonin (5-HT6) receptor ligands such as 3-(1-naphthylsulfonyl)-5-(piperidin-4-yloxy)-1H-indazole, used for the treatment nervous sytem disorders such as attention deficit disorder, anxiety, epilepsy, depression, schizophrenia, obsessive compulsive, sleep, eating and neurodegenerative disorders HTR6, HTR1A, HTR3B HTR6 1/4885HTR2C 5/4885HTR2B 16/4885

“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.