SCHEMBL13168221

SCHEMBL13168221

CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H]2OC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)[C@H]2c2cccc(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.40
NPY5R Q15761 4/20 0.39
SCN9A Q15858 1/20 0.39
CCR2 P41597 1/20 0.38
KDM4D Q6B0I6 4/20 0.37
F10 P00742 1/20 0.37
DRD2 P14416 2/20 0.36
DDR1 Q08345 2/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
AHCY P23526 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL3588106 0.92 USP14 (0.45) USP14NPY5RKDM4DF10DRD2
SCHEMBL3594724 0.90 CCR2 (0.41) CCR2DRD2
SCHEMBL3594722 0.90 CCR2 (0.41) CCR2DRD2
SCHEMBL3584031 0.90 USP14 (0.42) USP14NPY5RKDM4DF10DRD2
SCHEMBL3589762 0.84 CNR1 (0.43)
SCHEMBL15182152 0.84 KMT2A (0.36) DRD2
SCHEMBL15169813 0.82 MCHR1 (0.37) DRD2
SCHEMBL3596723 0.82 TSHR (0.35) DRD2
SCHEMBL3596729 0.82 TSHR (0.35) DRD2
SCHEMBL13168320 0.82 DDR1 (0.39) KDM4DDDR1

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 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

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 USP14 3656/4885NPY5R 244/4885SCN9A 1061/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH USP14 3656/4885NPY5R 244/4885SCN9A 1061/4885

“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.