SCHEMBL4077401

SCHEMBL4077401

CC(C)(C)NC(=O)N1CC(O[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccccc2C(F)(F)F)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RORC P51449 1/20 0.38
TACR1 P25103 1/20 0.38
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
CTSK P43235 8/20 0.37
FAAH O00519 1/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL4077398 1.00 RBP4 (0.40) RBP4CYP3A4CYP2C9CYP2C19RORC
SCHEMBL4078310 1.00 RBP4 (0.40) RBP4CYP3A4CYP2C9CYP2C19RORC
SCHEMBL4089353 0.89 RORC (0.44) RBP4RORCTACR1FAAHGAA
SCHEMBL4079953 0.88 TACR1 (0.48) RBP4RORCTACR1FAAHGAA
SCHEMBL4075595 0.88 CNR1 (0.40) RBP4RORCTACR1FAAHGAA
Selonabant SCHEMBL31259163 0.87 CNR1 (0.49) FAAHCNR1CNR2
Selonabant SCHEMBL4075847 0.87 CNR1 (0.49) FAAHCNR1CNR2
Selonabant SCHEMBL29482761 0.87 CNR1 (0.49) FAAHCNR1CNR2
Selonabant SCHEMBL4075536 0.87 CNR1 (0.49) FAAHCNR1CNR2
Selonabant SCHEMBL4075537 0.87 CNR1 (0.49) FAAHCNR1CNR2

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
EP-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP claimed
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 RBP4 2267/4885CYP3A4 814/4885CYP2C9 170/4885

“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.