SCHEMBL1413744

SCHEMBL1413744

O=C(NCC1CCOCC1)c1ccc(S(=O)(=O)n2cc(-c3cccnc3F)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 5/20 0.42
CNR2 P34972 3/20 0.42
CXCR3 P49682 4/20 0.41
PDE4B Q07343 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL1413800 0.94 CXCR3 (0.46) NAMPTCXCR3
SCHEMBL1413765 0.85 PDE4B (0.43) NAMPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL1413779 0.85 HTR6 (0.53) NAMPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL4012523 0.82 CXCR4 (0.48) NAMPTLMNAKDM4ECYP2C9
SCHEMBL1413445 0.81 ALDH1A1 (0.44) LMNASMN1; SMN2HTT
SCHEMBL1413680 0.81 HTR6 (0.50) NAMPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL1413799 0.81 HTR6 (0.50) NAMPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL1413588 0.80 HTR6 (0.51) NAMPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL1413824 0.80 HTR6 (0.48) NAMPTLMNASMN1; SMN2KDM4EHTT
SCHEMBL1413801 0.79 HTR6 (0.50) NAMPTLMNASMN1; SMN2KDM4EHTT

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 14 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 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 NAMPT 574/4885LMNA 1948/4885SMN1; SMN2 546/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG NAMPT 656/4885LMNA 2183/4885SMN1; SMN2 628/4885

“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.