SCHEMBL3554390

SCHEMBL3554390

COc1ccc(S(=O)(=O)c2n[nH]c3ccc(OC4CCNCC4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTK P33981 1/20 0.40
CNR1 P21554 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
AKR1B1 P15121 1/20 0.39
ROCK1 Q13464 2/20 0.39
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

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
SCHEMBL3558454 0.90 TTK (0.47) HTR6TTKHTR2AHTR2CHTR2B
SCHEMBL3554580 0.89 HTR6 (0.46) HTR6CNR1HTR2CHTR2BROCK1
SCHEMBL3551530 0.89 HRH1 (0.46) HTR6TTKHTR2CROCK1ROCK2
SCHEMBL3548815 0.89 HTR6 (0.48) HTR6MAPTSMN1; SMN2CNR1HTR2C
SCHEMBL3552110 0.86 HTR6 (0.48) HTR6AKR1B1ROCK1ROCK2PRKACA
SCHEMBL3554060 0.84 HTR6 (0.72) HTR6HTR2CHTR2B
SCHEMBL3551475 0.84 HTR6 (0.48) HTR6TTKHTR2CHTR2BROCK1
SCHEMBL3553313 0.82 HTR6 (0.48) HTR6HTR2CHTR2BAKR1B1ROCK1
SCHEMBL3546433 0.82 HTR6 (0.49) HTR6SMN1; SMN2HTR2CHTR2BROCK1
SCHEMBL3552105 0.80 AKR1B1 (0.42) HTR6HTR2CAKR1B1ROCK1ROCK2

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 1/4885MAPT 513/4885SMN1; SMN2 873/4885

“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.