SCHEMBL6741313

SCHEMBL6741313

CN1CCN(c2ccc(S(=O)(=O)c3cccc(F)c3)c(N)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.60
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR2A P28223 3/20 0.52
ADRA2C P18825 1/20 0.46
HTR2C P28335 2/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
MAPT P10636 2/20 0.44
SIRT6 Q8N6T7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
PTK2B Q14289 1/20 0.44
FGFR4 P22455 1/20 0.43

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
SCHEMBL6744996 0.96 HTR6 (0.56) HTR6POLBKMT2AHTR2AADRA2C
SCHEMBL6744372 0.89 HTR6 (0.52) HTR6POLBKMT2AADRA2CHTR2C
SCHEMBL6746887 0.86 HTR6 (0.57) HTR6ADRA2CHTR2CDRD2HTR7
SCHEMBL6744979 0.86 HTR6 (0.72) HTR6HTR2AADRA2CHTR2CDRD2
SCHEMBL6744946 0.86 HTR6 (0.76) HTR6HTR2ADRD2HTR7
SCHEMBL6742728 0.85 HTR6 (0.48) HTR6POLBKMT2AADRA2CHTR2C
SCHEMBL6744494 0.84 HTR6 (0.50) HTR6KMT2AADRA2CMAPTSIRT6
SCHEMBL6743854 0.84 HTR6 (0.58) HTR6POLBKMT2AHTR2AHTR2C
SCHEMBL6746233 0.84 HTR6 (0.72) HTR6POLBKMT2AHTR2AHTR2C
SCHEMBL6744481 0.82 HTR6 (0.53) HTR6MAPTSIRT6KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1217938-C Bis-arylsulfones PHARMACIA & UP JOHN CO (US) 2005-09-07 CN claimed
US-20040014966-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2004-01-22 US claimed
US-20030225065-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2003-12-04 US claimed
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6579870-B2 5-(1,4-diazepan-1-yl)-2-((3 -fluorophenyl)sulfonyl)phenylamine for example; treatment of diseases or disorders of the central nervous system; modulation of serotonin (5-HT) activity PHARMACIA & UPJOHN COMPANY 2003-06-17 US claimed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP claimed
US-20020037892-A1 Bis-arylsulfones PHARMACIA & UPJOHN COMPANY 2002-03-28 US claimed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO claimed
CN-1217938-C Bis-arylsulfones PHARMACIA & UP JOHN CO (US) 2005-09-07 CN disclosed
US-20040014966-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2004-01-22 US disclosed
US-20030225065-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2003-12-04 US disclosed
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6586592-B2 Labled isotopes of phenyl 4-(1,4-diazepin-1-yl)-2-amino phenyl sulfone derivatives used in nuclear magnetic resonance imaging and positron emission tomography PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6579870-B2 5-(1,4-diazepan-1-yl)-2-((3 -fluorophenyl)sulfonyl)phenylamine for example; treatment of diseases or disorders of the central nervous system; modulation of serotonin (5-HT) activity PHARMACIA & UPJOHN COMPANY 2003-06-17 US disclosed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP disclosed
US-20020115660-A1 Bis -arylsulfones PHARMACIA & UPJOHN COMPANY 2002-08-22 US disclosed
US-20020037892-A1 Bis-arylsulfones PHARMACIA & UPJOHN COMPANY 2002-03-28 US disclosed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 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 (5 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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA HTR6 221/4885POLB 4200/4885KMT2A 3767/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885POLB 3539/4885KMT2A 3090/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885POLB 3539/4885KMT2A 3090/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885POLB 3539/4885KMT2A 3090/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885POLB 3471/4885KMT2A 4280/4885

“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.