SCHEMBL6744958

SCHEMBL6744958

CCNc1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.77
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
DRD2 P14416 3/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
SIRT6 Q8N6T7 1/20 0.49
DRD3 P35462 2/20 0.47
MAPT P10636 1/20 0.47
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL6744956 0.96 HTR6 (0.71) HTR6MAPK1L3MBTL1DRD2HTR2C
SCHEMBL6744318 0.91 HTR6 (0.64) HTR6MAPK1L3MBTL1DRD2HTR2C
SCHEMBL6741327 0.88 HTR6 (0.61) HTR6MAPK1L3MBTL1SIRT6MAPT
SCHEMBL6747341 0.88 HTR6 (0.61) HTR6MAPK1L3MBTL1DRD2HTR2C
SCHEMBL7048785 0.87 HTR6 (0.72) HTR6MAPK1L3MBTL1MAPT
SCHEMBL6743830 0.87 HTR6 (1.00) HTR6MAPT
SCHEMBL6741366 0.87 HTR6 (0.60) HTR6MAPK1L3MBTL1DRD2HTR2C
SCHEMBL6743158 0.86 HTR6 (0.76) HTR6DRD2HTR2CHTR7HTR2B
SCHEMBL6741836 0.86 HTR6 (0.58) HTR6MAPK1L3MBTL1SIRT6MAPT
SCHEMBL6741937 0.85 HTR6 (0.57) HTR6MAPK1L3MBTL1SIRT6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 221/4885MAPK1 2825/4885L3MBTL1 4400/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885MAPK1 2878/4885L3MBTL1 2785/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885MAPK1 2878/4885L3MBTL1 2785/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885MAPK1 2878/4885L3MBTL1 2785/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885MAPK1 4184/4885L3MBTL1 1966/4885

“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.