SCHEMBL3377181

SCHEMBL3377181

CS(=O)(=O)O.O=S(=O)(c1ccccc1)c1ccc(N2CCCNCC2)cn1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.55
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 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
SCHEMBL3378968 0.94 HTR6 (0.62) HTR6CHRNB2CHRNA4
SCHEMBL3322151 0.89 HTR6 (0.68) HTR6CHRNB2CHRNA4
SCHEMBL6488471 0.80 CHRNB2 (0.58) HTR6CHRNB2CHRNA4
SCHEMBL4520805 0.77 CHRNB2 (0.55) HTR6CHRNB2CHRNA4
SCHEMBL18553756 0.75 HTR6 (0.62) HTR6CHRNB2CHRNA4
SCHEMBL4573254 0.73 HTR6 (1.00) HTR6
SCHEMBL6745754 0.73 HTR6 (0.91) HTR6
SCHEMBL3380848 0.72 HTR6 (0.64) HTR6CHRNB2CHRNA4
SCHEMBL6745380 0.72 HTR6 (0.92) HTR6
SCHEMBL4478040 0.71 HTR6 (0.50) HTR6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476428-B1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2010-11-17 EP claimed
US-6855709-B2 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-02-15 US claimed
EP-1476428-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
US-20030186968-A1 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY 2003-10-02 US claimed
WO-2003072548-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
EP-1476428-B1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2010-11-17 EP disclosed
US-6855709-B2 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-02-15 US disclosed
EP-1476428-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT6 RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030186968-A1 Pyridyl sulfone derivatives PHARMACIA & UPJOHN COMPANY 2003-10-02 US disclosed
WO-2003072548-A1 PYRIDYL SULFONE DERIVATIVES AS 5-HT RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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-20030186968-A1 Pyridyl sulfone derivatives HTR6, TPH1, HTR1A HTR6 1/4885CHRNB2 589/4885CHRNA4 492/4885

“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.