SCHEMBL2421966

SCHEMBL2421966

Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(-c3ccc(C(F)(F)F)cn3)c1)CO2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
TRPV1 Q8NER1 6/20 0.38
RAF1 P04049 2/20 0.37
BRAF P15056 1/20 0.37
EPHX2 P34913 3/20 0.35
TRPM8 Q7Z2W7 4/20 0.35
NPY5R Q15761 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2429009 1.00 MGLL (0.39) MGLLTRPV1RAF1BRAFEPHX2
SCHEMBL12328249 0.90 MGLL (0.48) MGLLTRPV1EPHX2TRPM8
SCHEMBL12295692 0.90 MGLL (0.36) MGLLRAF1BRAFTRPM8NPY5R
SCHEMBL2425006 0.88 MGLL (0.44) MGLLRAF1BRAFEPHX2TRPM8
SCHEMBL2428665 0.83 MGLL (0.40) MGLLNPY5RHDAC1HDAC2
SCHEMBL2427364 0.83 MGLL (0.40) MGLLNPY5RHDAC1HDAC2
SCHEMBL2428666 0.83 RAF1 (0.40) MGLLTRPV1RAF1BRAFTRPM8
SCHEMBL2428516 0.83 RAF1 (0.40) MGLLTRPV1RAF1BRAFTRPM8
SCHEMBL12295693 0.83 MGLL (0.39) MGLLTRPV1EPHX2TRPM8HDAC1
SCHEMBL2431699 0.83 MGLL (0.51) MGLLTRPV1EPHX2TRPM8

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 claimed
US-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors PFIZER INC. 2011-09-22 US claimed
WO-2010058318-A1 1-OXA-8-AZASPIRO [4, 5 ] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS PFIZER INC. (US) 2010-05-27 WO claimed

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 246/4885TRPV1 484/4885RAF1 2947/4885

“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.