SCHEMBL4089379

SCHEMBL4089379

OC(c1ccc(Cl)cc1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.35
IDO1 P14902 2/20 0.34
PDE2A O00408 1/20 0.34
NR3C1 P04150 3/20 0.34
RAB9A P51151 2/20 0.34
NR3C2 P08235 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL4089387 0.79 ADORA2A (0.46) IDO1RAB9ALMNASMN1; SMN2CYP1A2
SCHEMBL4189236 0.79 CNR2 (0.49) NR3C1LMNAMAPTCYP2C19CNR1
SCHEMBL17055570 0.74 PSEN1 (0.41) MDM2MAPTPSEN1PSEN2APH1B
SCHEMBL20157869 0.74 PSEN1 (0.38) MDM2NPSR1PSEN1PSEN2APH1B
SCHEMBL30910912 0.74 F2RL1 (0.41) MDM2PSEN1PSEN2APH1BNCSTN
SCHEMBL21831883 0.74 F2RL1 (0.41) MDM2PSEN1PSEN2APH1BNCSTN
SCHEMBL23149867 0.73 IDO1 (0.38) IDO1PDE2APPARG
SCHEMBL1347797 0.73 MDM2 (0.40) MDM2IDO1NR3C1CYP2D6CYP3A4
SCHEMBL4083661 0.73 ACP3 (0.45) IDO1
SCHEMBL31493920 0.73 TSHR (0.42) IDO1NR3C1LMNAMAPTHTT

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 MDM2 4490/4885IDO1 1142/4885PDE2A 1386/4885

“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.