SCHEMBL3551073

SCHEMBL3551073

O=[N+]([O-])c1ccc(OC2CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.56
ROCK2 O75116 3/20 0.56
CCR2 P41597 2/20 0.55
BCHE P06276 5/20 0.55
ACHE P22303 5/20 0.55
BACE1 P56817 4/20 0.55
KCNH2 Q12809 1/20 0.53
MAOB P27338 1/20 0.50
FAAH O00519 1/20 0.50

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
SCHEMBL5205810 1.00 ROCK1 (0.56) ROCK1ROCK2CCR2BCHEACHE
SCHEMBL3546613 0.93 ACHE (0.60) BCHEACHEBACE1FAAH
SCHEMBL27720300 0.89 HRH3 (0.54) KCNH2
SCHEMBL3545728 0.85 HRH3 (0.62) BCHEACHEBACE1FAAH
SCHEMBL9598403 0.85 ROCK1 (0.65) ROCK1ROCK2CCR2BCHEKCNH2
SCHEMBL6181435 0.83 ALDH1A1 (0.49) ACHEKCNH2
SCHEMBL9235807 0.82 HRH3 (0.61) KCNH2
SCHEMBL11729293 0.82 ROCK1 (0.61) ROCK1ROCK2CCR2BCHEKCNH2
SCHEMBL27573482 0.81 MGLL (0.48) CCR2BCHEACHEBACE1
SCHEMBL12478315 0.81 CCR2 (0.52) ROCK1ROCK2CCR2BCHEACHE

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-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
EP-1915348-A1 AZINYL-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-04-30 EP disclosed
WO-2007032833-A1 AZINYL-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-03-22 WO 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.