SCHEMBL3549922

SCHEMBL3549922

O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(OC3CCCN(Cc4ccccc4)C3)cc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.56
ROCK2 O75116 5/20 0.56
CCR2 P41597 2/20 0.56
KCNH2 Q12809 1/20 0.50
CHEK2 O96017 1/20 0.44
HTR6 P50406 4/20 0.41
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
BCHE P06276 1/20 0.40
MAOB P27338 1/20 0.40
GSK3B P49841 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR4 P51679 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
SCHEMBL3556796 0.87 PARP1 (0.43) ROCK1ROCK2CCR2HTR6DRD2
Hydrochloric Acid SCHEMBL3552875 0.86 PARP1 (0.42) ROCK1ROCK2CCR2HTR6DRD2
SCHEMBL3554271 0.85 PARP1 (0.43) ROCK1ROCK2CCR2HTR6DRD2
Hydrochloric Acid SCHEMBL3555794 0.84 PARP1 (0.43) HTR6DRD2HTR2B
SCHEMBL3551850 0.83 HTR6 (0.42) HTR6DRD2HTR2B
SCHEMBL3546649 0.83 PARP1 (0.47) ROCK1ROCK2CCR2HTR6MAOB
SCHEMBL3543253 0.83 HTR6 (0.47) HTR6DRD2HTR2CHTR2B
Hydrochloric Acid SCHEMBL3552382 0.83 PARP1 (0.47) ROCK1ROCK2CCR2HTR6MAOB
Hydrochloric Acid SCHEMBL3554583 0.83 HTR6 (0.42) HTR6DRD2HTR2B
SCHEMBL3551470 0.82 HTR6 (0.44) HTR6DRD2HTR2BMAOB

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-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US disclosed
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US disclosed
US-7790751-B2 Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-09-07 US disclosed
WO-2007032833-A1 AZINYL-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-03-22 WO 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
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
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 ROCK1 2432/4885ROCK2 2526/4885CCR2 3515/4885

“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.