SCHEMBL6744515

SCHEMBL6744515

CCCN(C(C)=O)c1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
HTR6 P50406 9/20 0.41
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.37
DDR1 Q08345 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35

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
SCHEMBL6743164 0.96 RORC (0.41) RORCHTR6HTR1AHTR2AHTR2C
SCHEMBL6741356 0.91 HTR6 (0.49) RORCHTR6DDR1LMNA
SCHEMBL6744128 0.90 HTR6 (0.47) RORCHTR6HTR1AHTR2AHTR2C
SCHEMBL6745803 0.90 RORC (0.42) RORCHTR6HTR1AHTR2AHTR2C
SCHEMBL6747280 0.88 HTR6 (0.42) RORCHTR6HTR1AHTR2AHTR2C
SCHEMBL6743783 0.88 HTR6 (0.41) RORCHTR6HTR1AHTR2AHTR2C
SCHEMBL6741342 0.88 HTR6 (0.50) RORCHTR6HTR1AHTR2AHTR2C
SCHEMBL7181807 0.87 HTR6 (0.49) RORCHTR6DDR1LMNAGFER
SCHEMBL6745673 0.87 HTR6 (0.44) RORCHTR6HTR1AHTR2AHTR2C
SCHEMBL6747373 0.86 HTR6 (0.42) RORCHTR6HTR1AHTR2AHTR2C

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 RORC 1421/4885HTR6 221/4885HTR1A 607/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 RORC 387/4885HTR6 35/4885HTR1A 184/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 RORC 387/4885HTR6 35/4885HTR1A 184/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 RORC 387/4885HTR6 35/4885HTR1A 184/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 RORC 548/4885HTR6 69/4885HTR1A 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.