SCHEMBL3353860

SCHEMBL3353860

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)Oc2cc(O)c(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.41
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TACR3 P29371 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ESR1 P03372 1/20 0.36
MLNR O43193 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
SCHEMBL3351119 0.91 PDE4B (0.41) GPR119EPHX2HRH3TACR3NPBWR1
SCHEMBL3352280 0.80 MC4R (0.36) TACR3
SCHEMBL3359583 0.78 L3MBTL1 (0.45)
SCHEMBL3354692 0.76 MC4R (0.36) TACR3
SCHEMBL13331466 0.76 EPHX2 (0.44) EPHX2HRH3MCHR1HRH1CCR3
SCHEMBL2799068 0.73 MC4R (0.37)
SCHEMBL3073527 0.73 GPR119 (0.65) GPR119HRH3USP30
SCHEMBL13330875 0.73 HDAC2 (0.33) TACR3
SCHEMBL3355954 0.73 JAK2 (0.34) GPR119USP30
SCHEMBL13330957 0.72 RAB9A (0.34)

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-8759818-B2 Deuterated compounds for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-24 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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 (1 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 GPR119 550/4885EPHX2 404/4885HRH3 307/4885

“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.