SCHEMBL3128669

SCHEMBL3128669

CC(=O)Nc1cc(N2CCCNCC2)ccc1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.79
KDR P35968 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42

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
Hydrochloric Acid SCHEMBL6833514 0.99 HTR6 (0.78) HTR6KDRHTR1ADRD2HTR2A
SCHEMBL6742375 0.98 HTR6 (0.76) HTR6KDRHTR1ADRD2HTR2A
SCHEMBL6747464 0.96 HTR6 (0.79) HTR6KDRHTR1ADRD2HTR2A
Trifluoroacetic Acid SCHEMBL6834351 0.95 HTR6 (0.71) HTR6KDR
Maleic Acid SCHEMBL6833403 0.95 HTR6 (0.71) HTR6KDR
Fumaric Acid SCHEMBL6833405 0.95 HTR6 (0.71) HTR6KDR
SCHEMBL6836001 0.93 HTR6 (0.69) HTR6
SCHEMBL6747333 0.91 HTR6 (0.71) HTR6
SCHEMBL6744764 0.89 HTR6 (0.78) HTR6
SCHEMBL6745380 0.89 HTR6 (0.92) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 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-20020115660-A1 Bis -arylsulfones PHARMACIA & UPJOHN COMPANY 2002-08-22 US claimed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO claimed
EP-2172199-A1 Sustained release tablet comprising pramipexole Pharmacia Corporation (US) 2010-04-07 EP disclosed
US-20090143387-A1 SUSTAINED-RELEASE TABLET COMPOSITION PFIZER INC 2009-06-04 US disclosed
US-20070196481-A1 Sustained-release tablet composition PHARMACIA CORPORATION 2007-08-23 US disclosed
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents PHARMACIA & UPJOHN COMPANY 2004-02-12 US disclosed
US-20040014966-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2004-01-22 US disclosed
WO-2003099797-A1 SALTS OF BIS-ARYLSULFONES FOR THE TREATMENT OF CNS DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-12-04 WO 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 (8 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 221/4885KDR 3782/4885HTR1A 607/4885
US-20070196481-A1 Sustained-release tablet composition SI, ABCB11, SLC2A9 HTR6 241/4885KDR 1147/4885HTR1A 631/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885KDR 3442/4885HTR1A 184/4885
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents HCRTR2, HCRTR1, CNR1 HTR6 76/4885KDR 4880/4885HTR1A 36/4885
US-20090143387-A1 SUSTAINED-RELEASE TABLET COMPOSITION SLC6A4, SLC6A2, CRH HTR6 9/4885KDR 790/4885HTR1A 13/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885KDR 3442/4885HTR1A 184/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885KDR 3442/4885HTR1A 184/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885KDR 3304/4885HTR1A 42/4885

“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.