SCHEMBL2427031

SCHEMBL2427031

CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)CO2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.57
TACR1 P25103 3/20 0.44
NOTCH1 P46531 1/20 0.44
CCR2 P41597 1/20 0.42
RORC P51449 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL2423590 0.87 MGLL (0.55) MGLLTACR1IDO1STS
SCHEMBL2427027 0.87 MGLL (0.55) MGLLTACR1IDO1STS
SCHEMBL2424183 0.87 MGLL (0.55) MGLLTACR1IDO1STS
SCHEMBL2429904 0.87 MGLL (0.75) MGLLRORCIDO1
SCHEMBL2427011 0.86 MGLL (0.54) MGLLIDO1MAPTPOLBSTS
SCHEMBL2435729 0.86 MGLL (0.55) MGLLTACR1CCR2
SCHEMBL2435728 0.86 MGLL (0.55) MGLLTACR1CCR2
SCHEMBL22880757 0.85 MGLL (0.52) MGLLTACR1RORCIDO1
SCHEMBL18418311 0.85 MGLL (0.52) MGLLTACR1RORCIDO1
SCHEMBL2424290 0.85 MGLL (0.49) MGLLTACR1RORCJAK2JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367830-A1 1-OXA-8-AZASPIRO [4, 5] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS Pfizer Inc. (US) 2011-09-28 EP disclosed
US-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors PFIZER INC. 2011-09-22 US disclosed
WO-2010058318-A1 1-OXA-8-AZASPIRO [4, 5 ] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS PFIZER INC. (US) 2010-05-27 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 (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-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors FAAH, FAAH2, FFAR1 MGLL 246/4885TACR1 1103/4885NOTCH1 1004/4885

“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.