SCHEMBL6745771

SCHEMBL6745771

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.40
RORC P51449 3/20 0.39
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CHKA P35790 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IGF1R P08069 1/20 0.34
NTRK1 P04629 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL6747280 0.96 HTR6 (0.42) HTR6RORCPOLBKMT2AHTR1A
SCHEMBL6747343 0.94 HTR6 (0.41) HTR6RORCPOLBKMT2ACHKA
SCHEMBL6745673 0.93 HTR6 (0.44) HTR6RORCKMT2AHTR1AHTR2A
SCHEMBL6747453 0.92 HTR6 (0.47) HTR6RORCPOLBKMT2AHTR1A
SCHEMBL7046642 0.89 HTR6 (0.43) HTR6RORCPOLBKMT2AHTR1A
SCHEMBL6743164 0.89 RORC (0.41) HTR6RORCPOLBCHKAHTR1A
SCHEMBL6743441 0.89 HTR6 (0.48) HTR6HTR1AHTR2AHTR2CHTR7
SCHEMBL7181776 0.89 HTR6 (0.40) HTR6RORCPOLBKMT2ACHKA
SCHEMBL6744128 0.89 HTR6 (0.47) HTR6RORCPOLBKMT2AHTR1A
SCHEMBL6741342 0.88 HTR6 (0.50) HTR6RORCPOLBKMT2AHTR1A

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 221/4885RORC 1421/4885POLB 4200/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885RORC 387/4885POLB 3539/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885RORC 387/4885POLB 3539/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885RORC 387/4885POLB 3539/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885RORC 548/4885POLB 3471/4885

“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.