SCHEMBL3554740

SCHEMBL3554740

O=C(OCc1ccccc1)N1CCC(COc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.53
GRIN2B Q13224 5/20 0.53
CYP2C19 P33261 1/20 0.52
FAAH O00519 1/20 0.52
ACHE P22303 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
DRD4 P21917 1/20 0.51
CYP3A4 P08684 1/20 0.51
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL21722836 0.86 SIGMAR1 (0.60) SIGMAR1FAAHCYP2D6
SCHEMBL22589573 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL9760056 0.84 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL13450952 0.84 GRIN2B (0.71) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL7819807 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL3557188 0.83 GAA (0.61) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL22126801 0.83 SIGMAR1 (0.68) SIGMAR1SMN1; SMN2HTTFAAHACHE
SCHEMBL6593704 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL13168269 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTGRIN2B
SCHEMBL15747761 0.82 SMN1; SMN2 (0.58) SIGMAR1SMN1; SMN2NPC1RAB9AHTT

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 13 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
CN-101291913-A Azinyl-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2008-10-22 CN 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
US-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP 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 SIGMAR1 171/4885SMN1; SMN2 873/4885NPC1 174/4885

“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.