SCHEMBL4452501

SCHEMBL4452501

CN1C(=O)OCC1(c1ccc(-c2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
NAAA Q02083 2/20 0.35
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
HSD11B1 P28845 1/20 0.33
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
MMP3 P08254 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 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
SCHEMBL4458256 0.77 IDH1 (0.39) MMP2MMP9HSD11B1MMP1ADAM17
SCHEMBL4575028 0.67 ALDH1A1 (0.41) HSD11B1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL6902727 0.66 IDH1 (0.44) HSD11B1L3MBTL1BACE1
SCHEMBL16915009 0.66 PKM (0.39) CYP1A2CYP2C19BACE1
SCHEMBL22061275 0.65 KIF11 (0.42) MMP2MMP9MMP3NPC1RAB9A
SCHEMBL4450103 0.64 GAA (0.40) MMP2MMP9HSD11B1MMP1ADAM17
SCHEMBL4458126 0.63 GRM2 (0.39) MMP2MMP9HSD11B1MMP3CHRNA1
Biphenyl SCHEMBL4575027 0.62 NAAA (0.50) FAAHNAAASMN1; SMN2L3MBTL1GRM2
SCHEMBL22915175 0.62 ALDH1A1 (0.37) CYP2C19L3MBTL1
SCHEMBL4454824 0.62 GRM2 (0.40) MMP2MMP9HSD11B1MMP1ADAM17

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 US 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 FAAH 1594/4885NAAA 2344/4885MMP2 2334/4885

“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.