SCHEMBL6745003

SCHEMBL6745003

CCCNc1cc(N2CCNCC2)ccc1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.71
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 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
SCHEMBL6746185 0.96 HTR6 (0.78) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL6743676 0.92 HTR6 (0.78) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL7045682 0.91 HTR6 (0.64) HTR6ALDH1A1MAPT
SCHEMBL6743680 0.89 HTR6 (0.56) HTR6HTR2AMAPT
SCHEMBL6745094 0.89 HTR6 (0.69) HTR6ALDH1A1MAPT
SCHEMBL6743742 0.89 HTR6 (0.83) HTR6ALDH1A1MAPT
SCHEMBL6741078 0.88 HTR6 (0.80) HTR6HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL6742041 0.87 HTR6 (0.79) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL6746863 0.87 HTR6 (0.64) HTR6ALDH1A1MAPT
SCHEMBL6745331 0.87 HTR6 (0.61) HTR6ALDH1A1MAPT

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 17 patents. 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-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 221/4885HTR1A 607/4885DRD2 878/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885HTR1A 184/4885DRD2 1398/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885HTR1A 184/4885DRD2 1398/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885HTR1A 184/4885DRD2 1398/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885HTR1A 42/4885DRD2 292/4885

“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.