SCHEMBL4186767

SCHEMBL4186767

O=C(Nc1ccccc1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
NFKB1 P19838 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
BCHE P06276 1/20 0.49
FAAH O00519 5/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4075833 0.84 CACNA2D1 (0.58) MAPTTP53NFKB1LMNASMN1; SMN2
SCHEMBL4075719 0.82 GRIN2B (0.62) MAPTTP53NFKB1LMNASMN1; SMN2
SCHEMBL4079038 0.82 GRIN2B (0.62) MAPTTP53NFKB1LMNASMN1; SMN2
SCHEMBL4084892 0.80 FAAH (0.52) SMN1; SMN2NPC1RAB9AFAAH
SCHEMBL4080228 0.79 CNR1 (0.48) FAAHDRD3
SCHEMBL4182479 0.79 FAAH (0.48) MAPTTP53NFKB1LMNASMN1; SMN2
SCHEMBL4189458 0.78 DRD3 (0.54) MAPTTP53NFKB1FAAHMEN1
SCHEMBL4636071 0.78 FAAH (0.43) FAAH
SCHEMBL17460106 0.78 FAAH (0.58) MAPTTP53NFKB1LMNASMN1; SMN2
SCHEMBL4078364 0.77 CNR1 (0.55) NPC1RAB9AFAAHDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs VERNALIS RESEARCH LIMITED (GB) 2007-07-26 US 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-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 (2 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-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders CNR1, CNR2, GPR119 MAPT 4615/4885TP53 4614/4885NFKB1 4050/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 MAPT 4534/4885TP53 4417/4885NFKB1 4354/4885

“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.