SCHEMBL4075729

SCHEMBL4075729

Cc1ccc(C(O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
MLKL Q8NB16 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KMT2A Q03164 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
SCD O00767 1/20 0.38
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
P2RX7 Q99572 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36

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
SCHEMBL3289370 0.85 ACP3 (0.57) ACP3KMT2AADORA2AADORA1SCD
SCHEMBL30986703 0.85 ACP3 (0.57) ACP3KMT2AADORA2AADORA1SCD
SCHEMBL3294921 0.85 ACP3 (0.57) ACP3KMT2AADORA2AADORA1SCD
SCHEMBL4083661 0.84 ACP3 (0.45) ACP3AKR1C3AKR1C2KMT2AADORA2A
SCHEMBL4189236 0.83 CNR2 (0.49) ACP3ADORA2AADORA1SCDCNR2
SCHEMBL4089382 0.82 ACP3 (0.41) ACP3KMT2AADORA2AADORA1SCD
SCHEMBL4080242 0.82 KMT2A (0.46) ACP3KMT2ASCDALDH1A1MAPT
SCHEMBL30903830 0.81 ACP3 (0.50) ACP3CNR2ALDH1A1LMNAP2RX7
SCHEMBL9776265 0.81 ACP3 (0.50) ACP3CNR2ALDH1A1LMNAP2RX7
SCHEMBL4075644 0.80 RORC (0.43) ACP3KMT2AADORA2AADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP disclosed
US-7504522-B2 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMITED (GB) 2009-03-17 US disclosed
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMAITED (GB) 2007-03-08 US disclosed
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 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-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders CNR1, CNR2, GPR119 ACP3 4050/4885MLKL 4475/4885AKR1C3 901/4885

“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.