SCHEMBL6741295

SCHEMBL6741295

CC(=O)Nc1cc(N2CCCN(C(=O)OC(C)(C)C)CC2)ccc1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.53
PDK2 Q15119 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
TGFBR1 P36897 3/20 0.44
PIK3CA P42336 1/20 0.44
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 2/20 0.42
NAMPT P43490 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL7048580 0.89 HTR6 (0.58) HTR6POLBCYP3A4MAPK1MEN1
SCHEMBL6741316 0.87 PIK3CA (0.49) HTR6PDK2GPR119TGFBR1PIK3CA
SCHEMBL6745761 0.86 HTR6 (0.69) HTR6PDK2GPR119TGFBR1PIK3CA
SCHEMBL6743416 0.86 HTR6 (0.58) HTR6POLBCYP3A4KMT2ARORC
SCHEMBL6744352 0.84 MAPT (0.50) HTR6PDK2GPR119TGFBR1PIK3CA
SCHEMBL6745742 0.83 HTR6 (0.61) HTR6POLBCYP3A4KMT2A
SCHEMBL3128669 0.81 HTR6 (0.79) HTR6
SCHEMBL6747464 0.81 HTR6 (0.79) HTR6
Hydrochloric Acid SCHEMBL6833514 0.80 HTR6 (0.78) HTR6
SCHEMBL3618644 0.80 TGFBR1 (0.51) HTR6PDK2GPR119TGFBR1PIK3CA

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 8 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
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
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

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 HTR6 221/4885PDK2 1547/4885GPR119 1314/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885PDK2 1346/4885GPR119 710/4885
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents HCRTR2, HCRTR1, CNR1 HTR6 76/4885PDK2 2967/4885GPR119 20/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885PDK2 1346/4885GPR119 710/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885PDK2 1346/4885GPR119 710/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885PDK2 2628/4885GPR119 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.