SCHEMBL4083661

SCHEMBL4083661

OC(c1ccc(F)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.45
ATM Q13315 2/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SCD O00767 1/20 0.38
CNR2 P34972 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 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
SCHEMBL12869593 0.88 CYP11B1 (0.37) ACP3ATMKMT2AADORA2AADORA1
SCHEMBL3294921 0.87 ACP3 (0.57) ACP3KMT2AADORA2AADORA1IDO1
SCHEMBL30986703 0.87 ACP3 (0.57) ACP3KMT2AADORA2AADORA1IDO1
SCHEMBL3289370 0.87 ACP3 (0.57) ACP3KMT2AADORA2AADORA1IDO1
SCHEMBL4189236 0.84 CNR2 (0.49) ACP3ATMADORA2AADORA1SCD
SCHEMBL4075729 0.84 ACP3 (0.44) ACP3KMT2AADORA2AADORA1SCD
SCHEMBL9776265 0.82 ACP3 (0.50) ACP3IDO1TDO2CNR2OPRM1
SCHEMBL30903830 0.82 ACP3 (0.50) ACP3IDO1TDO2CNR2OPRM1
SCHEMBL2781380 0.81 ACP3 (0.42) ACP3ADORA2AADORA1IDO1TDO2
SCHEMBL12317610 0.81 ACP3 (0.44) ACP3KMT2AADORA2AADORA1SCD

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 9 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-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders VERNALIS RESEARCH LIMITED. (GB) 2009-07-16 US 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-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs VERNALIS RESEARCH LIMITED (GB) 2007-07-26 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
EP-1618105-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-01-25 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
WO-2004096794-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDRS 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 (3 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 4050/4885ATM 3707/4885KMT2A 914/4885
US-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders CNR1, CNR2, GPR119 ACP3 4301/4885ATM 3963/4885KMT2A 1168/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 ACP3 4359/4885ATM 4274/4885KMT2A 1714/4885

“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.