SCHEMBL1413779

SCHEMBL1413779

O=C(NCC1CCOCC1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.46
TNFSF11 O14788 2/20 0.44
USP30 Q70CQ3 1/20 0.42
TNF P01375 1/20 0.42
CXCR3 P49682 1/20 0.42
MAPT P10636 1/20 0.42
ATR Q13535 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 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
SCHEMBL1413588 0.95 HTR6 (0.51) HTR6L3MBTL1CA2CA12CA1
SCHEMBL1413816 0.93 HTR6 (0.58) HTR6L3MBTL1CA2CA12CA1
SCHEMBL1413878 0.90 HTR6 (0.52) HTR6L3MBTL1CA2CA12CA1
SCHEMBL1413765 0.88 PDE4B (0.43) HTR6L3MBTL1CA2CA12CA1
SCHEMBL1413680 0.87 HTR6 (0.50) HTR6CA2SMN1; SMN2LMNAKDM4E
SCHEMBL1413799 0.87 HTR6 (0.50) HTR6CA2SMN1; SMN2LMNAKDM4E
SCHEMBL1413655 0.86 HTR6 (0.56) HTR6L3MBTL1CA2CA12CA1
SCHEMBL1413832 0.85 HPGD (0.56) HTR6L3MBTL1SMN1; SMN2LMNACXCR3
SCHEMBL1413497 0.85 HPGD (0.56) HTR6L3MBTL1SMN1; SMN2LMNACXCR3
SCHEMBL1413496 0.85 HPGD (0.56) HTR6L3MBTL1SMN1; SMN2LMNACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP claimed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US claimed
JP-2007519631-A 2007-07-19 JP claimed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US claimed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP claimed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 HTR6 172/4885L3MBTL1 3445/4885CA2 3947/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885L3MBTL1 3496/4885CA2 4091/4885

“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.