SCHEMBL6745801

SCHEMBL6745801

CCN(CC)c1cc(N2CCCN(C)CC2)ccc1S(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.44
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2B P41595 1/20 0.39
CHKA P35790 1/20 0.38
NTRK1 P04629 1/20 0.37
RORC P51449 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL6744953 0.96 HTR6 (0.47) HTR6POLBKMT2AHTR2CHTR7
SCHEMBL7181776 0.92 HTR6 (0.40) HTR6POLBKMT2AHTR2CHTR7
SCHEMBL6745750 0.92 HTR6 (0.51) HTR6POLBHTR2CHTR7DRD2
SCHEMBL6743810 0.91 HTR6 (0.54) HTR6POLBKMT2AHTR2CHTR7
SCHEMBL6746866 0.88 HTR6 (0.52) HTR6POLBKMT2AHTR2CHTR7
SCHEMBL6745209 0.88 HTR6 (0.40) HTR6POLBHTR2CHTR7CHKA
SCHEMBL7176613 0.87 HTR6 (0.43) HTR6POLBKMT2AHTR2CHTR7
SCHEMBL6747335 0.87 HTR6 (0.54) HTR6HTR2CHTR7DRD2HTR2B
SCHEMBL6747343 0.87 HTR6 (0.41) HTR6POLBKMT2ACHKANTRK1
SCHEMBL6741305 0.87 HTR6 (0.54) HTR6POLBKMT2AHTR2CHTR7

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 15 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
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.