SCHEMBL4075853

SCHEMBL4075853

CSc1ccc(C(OC2CN(C(c3ccccc3)c3ccccc3)C2)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL4075659 0.90 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL4085235 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL4077701 0.87 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL4256426 0.86 CACNA2D1 (0.42) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL4084971 0.86 CNR1 (0.44) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4078368 0.84 ACHE (0.52) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL4075841 0.83 CACNA2D1 (0.38) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4079018 0.83 ACHE (0.39) OPRM1OPRD1OPRK1OPRL1CACNA2D1
Hydrochloric Acid SCHEMBL4080276 0.80 IDO1 (0.36) IDO1TDO2CYP2D6CYP1A2CYP3A4
SCHEMBL4185416 0.79 FAAH (0.38) OPRM1OPRD1OPRK1OPRL1CACNA2D1

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 OPRM1 22/4885OPRD1 12/4885OPRK1 32/4885

“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.