SCHEMBL3589718

SCHEMBL3589718

CC(C)(C)OC(=O)N[CH]N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CTSK P43235 6/20 0.38
GAA P10253 1/20 0.37
MAPK10 P53779 1/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX1 P07099 2/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
BTK Q06187 1/20 0.35
CTSD P07339 1/20 0.34
CTSS P25774 1/20 0.34
NR1I3 Q14994 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3577281 0.98 MAPK10 (0.38) HPGDCTSKGAAMAPK10CTSL
SCHEMBL208785 0.78 CTSK (0.42) CTSKGAAMAPK10CA2CA1
SCHEMBL7365934 0.73 LIPE (0.44) HPGDCTSKGAACTSLCTSB
SCHEMBL694641 0.73 LIPE (0.44) HPGDCTSKGAACTSLCTSB
SCHEMBL11850444 0.71 ALDH1A1 (0.37) GAASMN1; SMN2
SCHEMBL477283 0.71 LIPE (0.42) HPGDCTSKGAACTSLCTSB
SCHEMBL303433 0.71 HPGD (0.41) HPGDCTSKEPHX1USP2SMN1; SMN2
SCHEMBL12571335 0.71 MAPK10 (0.41) CTSKGAAMAPK10CA2CA1
SCHEMBL15096829 0.71 MAPK10 (0.41) CTSKGAAMAPK10CA2CA1
SCHEMBL3880063 0.70 CTSK (0.46) HPGDCTSKGAAEPHX1CA2

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 9 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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO 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 HPGD 1745/4885CTSK 1236/4885GAA 1836/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HPGD 1745/4885CTSK 1236/4885GAA 1836/4885

“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.