SCHEMBL3591792

SCHEMBL3591792

Cc1ccc(Oc2cccc([C@H]3CN(CCS(C)(=O)=O)C(=O)N3c3ccc(Cl)cc3)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.36
P2RX3 P56373 8/20 0.35
PPARG P37231 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3591797 1.00 P2RX7 (0.36) P2RX7P2RX3PPARGCTSGCMA1
SCHEMBL3599001 0.90 LMNA (0.38)
SCHEMBL3585462 0.87 P2RX7 (0.33) P2RX7CTSGCMA1DRD2DRD3
SCHEMBL3589902 0.87 KCNH2 (0.40) CTSGCMA1DRD2DRD3KCNH2
SCHEMBL3589842 0.86 DRD2 (0.35) DRD2DRD3KCNH2
SCHEMBL3595543 0.86 CTSG (0.34) CTSGCMA1DRD2DRD3KCNH2
SCHEMBL3597046 0.86 KCNH2 (0.42) CTSGCMA1DRD2DRD3KCNH2
SCHEMBL3597042 0.86 KCNH2 (0.42) CTSGCMA1DRD2DRD3KCNH2
SCHEMBL3586695 0.86 SLC6A2 (0.36) P2RX3
SCHEMBL3593940 0.86 SLC6A2 (0.36) P2RX3

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 5 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-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

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 P2RX7 162/4885P2RX3 77/4885PPARG 110/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH P2RX7 162/4885P2RX3 77/4885PPARG 110/4885

“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.