SCHEMBL3597046

SCHEMBL3597046

COc1cccc(C2CN(CCS(C)(=O)=O)C(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HSD11B1 P28845 1/20 0.39
KCNA5 P22460 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 2/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
TSHR P16473 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL3597042 1.00 KCNH2 (0.42) KCNH2DRD2DRD3HSD11B1KCNA5
SCHEMBL3589902 0.97 KCNH2 (0.40) KCNH2DRD2DRD3HSD11B1KCNA5
SCHEMBL3594935 0.92 KCNH2 (0.39) KCNH2DRD2DRD3HSD11B1KCNA5
SCHEMBL3594932 0.92 KCNH2 (0.39) KCNH2DRD2DRD3HSD11B1KCNA5
SCHEMBL13185874 0.90 PPARG (0.40) KCNH2DRD2DRD3ALDH1A1KMT2A
SCHEMBL3595543 0.89 CTSG (0.34) KCNH2DRD2DRD3KMT2ACTSG
SCHEMBL3583971 0.89 PRKCZ (0.39) KCNH2DRD2DRD3KCNA5MAPT
SCHEMBL3596057 0.89 CTSG (0.36) KCNH2DRD2DRD3ALDH1A1KMT2A
SCHEMBL3596051 0.89 CTSG (0.36) KCNH2DRD2DRD3ALDH1A1KMT2A
SCHEMBL3589103 0.88 CTSG (0.38) KCNH2ALDH1A1MAPTHPGDCTSG

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 8 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-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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KCNH2 2253/4885DRD2 889/4885DRD3 942/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH KCNH2 2253/4885DRD2 889/4885DRD3 942/4885

“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.