SCHEMBL6744636

SCHEMBL6744636

CCNc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.66
PIK3CA P42336 1/20 0.53
TGFBR1 P36897 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR119 Q8TDV5 4/20 0.48
PDK2 Q15119 1/20 0.47
NAMPT P43490 1/20 0.47
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
DCTPP1 Q9H773 1/20 0.45

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
SCHEMBL7048785 0.89 HTR6 (0.72) HTR6ALDH1A1MAPTDCTPP1
SCHEMBL6745761 0.87 HTR6 (0.69) HTR6PIK3CATGFBR1MEN1KMT2A
SCHEMBL6741960 0.83 PIK3CA (0.61) HTR6PIK3CATGFBR1MEN1KMT2A
SCHEMBL6744958 0.83 HTR6 (0.77) HTR6MAPT
SCHEMBL3622673 0.81 MAPT (0.53) MEN1KMT2AGPR119PDK2NAMPT
SCHEMBL3827483 0.81 PIK3CA (0.66) HTR6PIK3CATGFBR1GPR119PDK2
SCHEMBL6744104 0.80 MAPT (0.58) HTR6PIK3CATGFBR1MEN1KMT2A
SCHEMBL6743830 0.80 HTR6 (1.00) HTR6ALDH1A1MAPT
SCHEMBL3622499 0.80 MAPK1 (0.65) HTR6MEN1KMT2AALDH1A1LMNA
SCHEMBL6744956 0.79 HTR6 (0.71) HTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 221/4885PIK3CA 3376/4885TGFBR1 4722/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885PIK3CA 3115/4885TGFBR1 4858/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885PIK3CA 3115/4885TGFBR1 4858/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885PIK3CA 3115/4885TGFBR1 4858/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885PIK3CA 4457/4885TGFBR1 4580/4885

“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.