SCHEMBL3592673

SCHEMBL3592673

NS(=O)(=O)CCN1C[C@H](c2cccc(C(F)(F)F)c2)N(c2cnc(Oc3ccc(Cl)cc3)cn2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.37
CACNA1B Q00975 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 2/20 0.32
DAGLA Q9Y4D2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
STK4 Q13043 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
NPBWR1 P48145 1/20 0.31

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
SCHEMBL3592674 1.00 CETP (0.37) CETPCACNA1BALDH1A1POLBL3MBTL1
SCHEMBL3583750 0.86 CETP (0.41) CETPL3MBTL1SCN9ALMNAMAPT
SCHEMBL3583751 0.86 CETP (0.41) CETPL3MBTL1SCN9ALMNAMAPT
SCHEMBL3587999 0.84 CETP (0.44) CETPNPBWR1
SCHEMBL3587995 0.84 CETP (0.44) CETPNPBWR1
SCHEMBL3590644 0.82 CETP (0.44) CETPCACNA1BHTT
SCHEMBL3590652 0.82 CETP (0.44) CETPCACNA1BHTT
SCHEMBL3586475 0.81 CETP (0.40) CETPL3MBTL1LMNAMAPTHTT
SCHEMBL3586472 0.81 CETP (0.40) CETPL3MBTL1LMNAMAPTHTT
SCHEMBL3590727 0.81 KCNH2 (0.36) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885CACNA1B 215/4885ALDH1A1 2743/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885CACNA1B 215/4885ALDH1A1 2743/4885

“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.