SCHEMBL4085306

SCHEMBL4085306

COc1ccc(CNC(=O)N2CC(OC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CNR2 P34972 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
CHRNA7 P36544 2/20 0.45
FAAH O00519 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4083294 0.89 KMT2A (0.48) ALDH1A1SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4084898 0.87 POLB (0.45) ALDH1A1NPC1KMT2AMEN1RAB9A
SCHEMBL4075591 0.81 LMNA (0.51) ALDH1A1CNR2CHRNA7FAAHTDP1
SCHEMBL4079557 0.81 THRB (0.43) NPC1CNR2FAAHCYP2C19
SCHEMBL4084861 0.80 TSHR (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL4635584 0.79 FAAH (0.48) CNR2FAAH
SCHEMBL4635589 0.79 FAAH (0.48) CNR2FAAH
SCHEMBL4179487 0.79 KMT2A (0.50) KMT2AMEN1FAAHTDP1CYP2C9
SCHEMBL4190497 0.79 KMT2A (0.50) KMT2AMEN1FAAHTDP1CYP2C9
SCHEMBL4179482 0.79 KMT2A (0.50) KMT2AMEN1FAAHTDP1CYP2C9

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 3 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

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 ALDH1A1 1099/4885SMN1; SMN2 2253/4885NPC1 205/4885

“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.