SCHEMBL2427358

SCHEMBL2427358

Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(-c4ccc(F)cc4)c2)CO3)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
HDAC2 Q92769 7/20 0.39
HDAC1 Q13547 4/20 0.39
RAF1 P04049 4/20 0.36
LMNA P02545 2/20 0.36
BRAF P15056 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPY5R Q15761 1/20 0.34
TSHR P16473 1/20 0.34
HDAC3 O15379 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
SCHEMBL2429550 1.00 MGLL (0.40) MGLLHDAC2HDAC1RAF1LMNA
SCHEMBL2427040 1.00 MGLL (0.40) MGLLHDAC2HDAC1RAF1LMNA
SCHEMBL12295606 0.94 MGLL (0.39) MGLLHDAC2HDAC1MAPTSMN1; SMN2
SCHEMBL12295607 0.94 MGLL (0.39) MGLLHDAC2HDAC1MAPTSMN1; SMN2
SCHEMBL2425889 0.93 MGLL (0.39) MGLLHDAC2HDAC1RAF1BRAF
SCHEMBL2427893 0.93 MGLL (0.39) MGLLHDAC2HDAC1RAF1BRAF
SCHEMBL2431733 0.93 MGLL (0.39) MGLLHDAC2HDAC1RAF1BRAF
SCHEMBL2429995 0.92 MGLL (0.38) MGLLLMNAMEN1MAPTHTT
SCHEMBL2434246 0.92 MGLL (0.38) MGLLLMNAMEN1MAPTHTT
SCHEMBL2428284 0.92 MGLL (0.38) MGLLLMNAMEN1MAPTHTT

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 246/4885HDAC2 573/4885HDAC1 131/4885

“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.