SCHEMBL1413685

SCHEMBL1413685

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ncccn3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
RORC P51449 1/20 0.47
HTR6 P50406 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 4/20 0.46
CYP2C9 P11712 1/20 0.46
PTGER4 P35408 1/20 0.46
IDO1 P14902 1/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
IDE P14735 1/20 0.44
TNFSF11 O14788 1/20 0.44

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
SCHEMBL12810421 0.92 CXCR4 (0.48) CXCR4L3MBTL1RORCHTR6ALDH1A1
SCHEMBL4012523 0.92 CXCR4 (0.48) CXCR4L3MBTL1RORCHTR6ALDH1A1
Hydrochloric Acid SCHEMBL1413766 0.92 CXCR4 (0.48) CXCR4L3MBTL1RORCHTR6ALDH1A1
SCHEMBL1413651 0.90 CXCR4 (0.54) CXCR4L3MBTL1RORCHTR6ALDH1A1
SCHEMBL1413819 0.89 HTR6 (0.60) CXCR4L3MBTL1HTR6ALDH1A1NAMPT
SCHEMBL1413828 0.89 HTR6 (0.58) CXCR4L3MBTL1HTR6ALDH1A1MEN1
SCHEMBL1413871 0.88 SCN3A (0.48) CXCR4L3MBTL1RORCHTR6ALDH1A1
SCHEMBL1413784 0.88 CXCR4 (0.46) CXCR4L3MBTL1HTR6ALDH1A1MEN1
SCHEMBL1413674 0.88 CXCR4 (0.52) CXCR4RORCHTR6ALDH1A1MEN1
SCHEMBL1413554 0.88 CXCR4 (0.48) CXCR4L3MBTL1RORCHTR6ALDH1A1

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 16 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
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 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 (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 CXCR4 690/4885L3MBTL1 3445/4885RORC 2641/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG CXCR4 768/4885L3MBTL1 3496/4885RORC 2351/4885

“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.