SCHEMBL6741316

SCHEMBL6741316

CC(C)(C)OC(=O)N1CCCN(c2ccc(S(=O)(=O)c3cccc(F)c3)c(N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.49
HTR6 P50406 4/20 0.49
GPR119 Q8TDV5 3/20 0.47
PDK2 Q15119 1/20 0.46
TGFBR1 P36897 2/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 1/20 0.41
HTT P42858 2/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 2/20 0.40

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
SCHEMBL6741295 0.87 HTR6 (0.53) PIK3CAHTR6GPR119PDK2TGFBR1
SCHEMBL7044429 0.87 HTR6 (0.51) HTR6ALDH1A1LMNAMAPTMEN1
SCHEMBL6744352 0.86 MAPT (0.50) PIK3CAHTR6GPR119PDK2TGFBR1
SCHEMBL3618644 0.86 TGFBR1 (0.51) PIK3CAHTR6GPR119PDK2TGFBR1
SCHEMBL6741960 0.85 PIK3CA (0.61) PIK3CAHTR6GPR119PDK2TGFBR1
SCHEMBL15307416 0.85 STS (0.53) PIK3CAHTR6GPR119PDK2TGFBR1
SCHEMBL6744996 0.81 HTR6 (0.56) HTR6MAPTKMT2A
SCHEMBL6741313 0.79 HTR6 (0.60) HTR6MAPTKMT2AHTTMAPK1
SCHEMBL3613205 0.79 MAPT (0.57) GPR119PDK2ALDH1A1LMNAMAPT
SCHEMBL2386747 0.78 GPR119 (0.59) GPR119PDK2ALDH1A1LMNAMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20030225065-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2003-12-04 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-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 (6 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 PIK3CA 3376/4885HTR6 221/4885GPR119 1314/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 PIK3CA 3115/4885HTR6 35/4885GPR119 710/4885
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents HCRTR2, HCRTR1, CNR1 PIK3CA 3809/4885HTR6 76/4885GPR119 20/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 PIK3CA 3115/4885HTR6 35/4885GPR119 710/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 PIK3CA 3115/4885HTR6 35/4885GPR119 710/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 PIK3CA 4457/4885HTR6 69/4885GPR119 392/4885

“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.