SCHEMBL2425889

SCHEMBL2425889

Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(-c4ccc(F)c(F)c4)c2)CO3)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.39
MCHR1 Q99705 3/20 0.34
RAF1 P04049 4/20 0.34
BRAF P15056 2/20 0.34
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CACNA1H O95180 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNH2 Q12809 1/20 0.32
OGA O60502 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL2431733 1.00 MGLL (0.39) MGLLMCHR1RAF1BRAFCYP3A4
SCHEMBL2427893 1.00 MGLL (0.39) MGLLMCHR1RAF1BRAFCYP3A4
SCHEMBL2429550 0.93 MGLL (0.40) MGLLRAF1BRAFCYP3A4ALDH1A1
SCHEMBL2427358 0.93 MGLL (0.40) MGLLRAF1BRAFCYP3A4ALDH1A1
SCHEMBL2427040 0.93 MGLL (0.40) MGLLRAF1BRAFCYP3A4ALDH1A1
SCHEMBL2428284 0.91 MGLL (0.38) MGLLMCHR1CYP3A4ALDH1A1CYP2D6
SCHEMBL2434246 0.91 MGLL (0.38) MGLLMCHR1CYP3A4ALDH1A1CYP2D6
SCHEMBL2429995 0.91 MGLL (0.38) MGLLMCHR1CYP3A4ALDH1A1CYP2D6
SCHEMBL12295606 0.91 MGLL (0.39) MGLLCYP3A4ALDH1A1CYP2D6USP2
SCHEMBL12295607 0.91 MGLL (0.39) MGLLCYP3A4ALDH1A1CYP2D6USP2

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 246/4885MCHR1 901/4885RAF1 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.