SCHEMBL2428666

SCHEMBL2428666

Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2cccc(-c4ccc(C(F)(F)F)cn4)c2)CO3)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.40
BRAF P15056 2/20 0.40
MGLL Q99685 2/20 0.39
TRPV1 Q8NER1 5/20 0.38
CNR2 P34972 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPM8 Q7Z2W7 3/20 0.35
NPY5R Q15761 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL2428516 1.00 RAF1 (0.40) RAF1BRAFMGLLTRPV1CNR2
SCHEMBL12295694 0.90 MGLL (0.37) RAF1BRAFMGLLTRPM8NPY5R
SCHEMBL2425659 0.88 MGLL (0.44) RAF1BRAFMGLLLMNAHTT
SCHEMBL2429562 0.88 MGLL (0.44) RAF1BRAFMGLLLMNAHTT
SCHEMBL2429550 0.83 MGLL (0.40) RAF1BRAFMGLLLMNAHTT
SCHEMBL2427358 0.83 MGLL (0.40) RAF1BRAFMGLLLMNAHTT
SCHEMBL2427040 0.83 MGLL (0.40) RAF1BRAFMGLLLMNAHTT
SCHEMBL12295606 0.83 MGLL (0.39) MGLLSMN1; SMN2MAPK1HSD17B10TRPM8
SCHEMBL12295607 0.83 MGLL (0.39) MGLLSMN1; SMN2MAPK1HSD17B10TRPM8
SCHEMBL2421966 0.83 MGLL (0.39) RAF1BRAFMGLLTRPV1LMNA

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
US-20110230493-A1 1-OXA-8-Azaspiro [4,5] Decabe-8-Carboxamide Compounds as FAAH Inhibitors PFIZER INC. 2011-09-22 US 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 RAF1 2947/4885BRAF 2989/4885MGLL 246/4885

“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.