SCHEMBL3554983

SCHEMBL3554983

O=S(=O)(c1ccccc1Cl)c1n[nH]c2ccc(OC3CCNCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.39
TIPARP Q7Z3E1 1/20 0.39
HTR6 P50406 4/20 0.39
KHK P50053 1/20 0.38
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
PRKACA P17612 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKG1 Q13976 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
PAK1 Q13153 1/20 0.37
IKBKB O14920 1/20 0.37
CCR3 P51677 1/20 0.36
PRKCZ Q05513 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
SCHEMBL3554238 0.87 HTR6 (0.50) HTR6
Hydrochloric Acid SCHEMBL3552102 0.86 HTR6 (0.51) HTR6
SCHEMBL3551530 0.85 HRH1 (0.46) HRH1HTR6KHKROCK1ROCK2
SCHEMBL3554580 0.83 HTR6 (0.46) TIPARPHTR6ROCK1ROCK2PRKACA
SCHEMBL3549700 0.83 HTR6 (0.40) HRH1HTR6KHKROCK1ROCK2
SCHEMBL3553313 0.82 HTR6 (0.48) TIPARPHTR6ROCK1ROCK2PRKACA
SCHEMBL3552931 0.81 HTR6 (0.46) HTR6PRKCZ
Hydrochloric Acid SCHEMBL3546687 0.80 HTR6 (0.47) HTR6PRKCZ
SCHEMBL3554390 0.79 HTR6 (0.51) HTR6ROCK1ROCK2PRKACAPRKCD
SCHEMBL3548815 0.78 HTR6 (0.48) TIPARPHTR6ROCK1ROCK2PRKACA

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 HRH1 741/4885TIPARP 2693/4885HTR6 1/4885

“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.