SCHEMBL1413660

SCHEMBL1413660

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3cncnc3)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.48
HTR6 P50406 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
DGAT2 Q96PD7 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.43
CCR1 P32246 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
PTGER4 P35408 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
Hydrochloric Acid SCHEMBL4009397 0.99 CXCR4 (0.48) CXCR4HTR6L3MBTL1DGAT2MAPT
SCHEMBL12810342 0.92 ALDH1A1 (0.49) CXCR4HTR6L3MBTL1DGAT2ALDH1A1
Hydrochloric Acid SCHEMBL1413802 0.91 ALDH1A1 (0.48) CXCR4HTR6L3MBTL1DGAT2ALDH1A1
SCHEMBL1413651 0.90 CXCR4 (0.54) CXCR4HTR6L3MBTL1MAPTALDH1A1
SCHEMBL1413819 0.90 HTR6 (0.60) CXCR4HTR6L3MBTL1DGAT2ALDH1A1
SCHEMBL1413828 0.89 HTR6 (0.58) CXCR4HTR6L3MBTL1MAPTALDH1A1
SCHEMBL1413554 0.88 CXCR4 (0.48) CXCR4HTR6L3MBTL1DGAT2MAPT
SCHEMBL1413685 0.87 CXCR4 (0.52) CXCR4HTR6L3MBTL1MAPTALDH1A1
SCHEMBL1413889 0.86 CXCR4 (0.48) CXCR4HTR6L3MBTL1MAPTALDH1A1
SCHEMBL4009399 0.86 MAPT (0.44) HTR6DGAT2MAPTALDH1A1LMNA

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 690/4885HTR6 172/4885L3MBTL1 3445/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG CXCR4 768/4885HTR6 142/4885L3MBTL1 3496/4885

“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.