SCHEMBL2435728

SCHEMBL2435728

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.55
CCR2 P41597 1/20 0.44
CHRM4 P08173 1/20 0.41
TACR1 P25103 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 2/20 0.40
GRIN2B Q13224 1/20 0.39
RBP4 P02753 1/20 0.38
USP5 P45974 1/20 0.38

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
SCHEMBL2435729 1.00 MGLL (0.55) MGLLCCR2CHRM4TACR1DRD2
SCHEMBL2427031 0.86 MGLL (0.57) MGLLCCR2TACR1
SCHEMBL20399201 0.84 MGLL (0.76) MGLL
SCHEMBL3346380 0.84 MGLL (0.51) MGLLDRD2
SCHEMBL3350643 0.84 MGLL (0.51) MGLLDRD2
SCHEMBL3346378 0.84 MGLL (0.51) MGLLDRD2
SCHEMBL18446074 0.83 MGLL (0.50) MGLLTACR1
SCHEMBL23859706 0.82 MGLL (0.61) MGLLCCR2CHRM4DRD2HTR2C
SCHEMBL3350789 0.82 MGLL (0.60) MGLLDRD2
SCHEMBL3346329 0.82 MGLL (0.60) MGLLDRD2

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 2 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
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 246/4885CCR2 862/4885CHRM4 2062/4885

“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.